⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16418077 | 0.74 | — | — | |
| SCHEMBL18631497 | 0.72 | CHRM2 (0.48) | — | |
| SCHEMBL11778522 | 0.68 | — | — | |
| SCHEMBL11062807 | 0.68 | — | — | |
| SCHEMBL2300931 | 0.68 | — | — | |
| SCHEMBL3061912 | 0.68 | — | — | |
| SCHEMBL13185301 | 0.68 | — | — | |
| SCHEMBL5156751 | 0.68 | — | — | |
| SCHEMBL21872348 | 0.68 | — | — | |
| SCHEMBL1489553 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| EP-2119717-B1 | 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors | BOEHRINGER INGELHEIM INT (DE) | 2018-01-17 | — | — | EP | claimed |
| US-8697868-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-15 | — | — | US | claimed |
| JP-4733058-B2 | — | — | 2011-07-27 | — | — | JP | claimed |
| EP-2119717-A1 | 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors | Boehringer Ingelheim International GmbH (DE) | 2009-11-18 | — | — | EP | claimed |
| US-20090137801-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | US | claimed |
| EP-1758905-B1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR | BOEHRINGER INGELHEIM INT (DE) | 2009-04-29 | — | — | EP | claimed |
| US-7501426-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-10 | — | — | US | claimed |
| EP-1758905-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR | Boehringer Ingelheim International GmbH (DE) | 2007-03-07 | — | — | EP | claimed |
| US-20050234108-A1 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | claimed |
| WO-2005085246-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | WO | claimed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| US-20050234235-A1 | 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | disclosed |
| US-20050203095-A1 | Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | US | disclosed |
| WO-2005085246-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | WO | disclosed |
| US-6043228-A | O6 -substituted guanine derivatives, a process for their preparation and their use in treating tumor cells | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-03-28 | — | — | US | disclosed |
| WO-1994029312-A1 | O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1994-12-22 | — | — | WO | disclosed |