Smart product-service system (Smart PSS), as an emerging digital paradigm, should meet user expectations and optimize their experience with a higher degree of sustainability. As a complex solution bundle with digital technology, its innovative design method differs from the existing method for traditional products. For a reason that massive user-generated data can be collected in the usage stage, which can be utilized to obtain new user requirements and calculate the user satisfaction degree. According to the real-time user preference information, some modules can be upgraded or adjusted in order to extend the lifecycle of the sustainable Smart PSS. Nevertheless, few studies focus on conducting innovative design by concerning massive information collected in the usage stage in a sustainable Smart PSS environment, let alone a novel approach to support the information re-use in product development of other fields. Aiming to fill this gap, a new innovative design methodology is proposed by combining Function-Behavior-Structure (FBS) and Kano model to guide Smart PSS development. User requirements and behaviors are predicted and analysed by forecasting and collecting information from the perspective of information. As an illustrative case study, a self-service medicine vending system is described to explain the proposed approach. This research provides guidance for Smart PSS in the medical field.