SCHEMBL2641276

SCHEMBL2641276

[CH2]c1cccc(OC)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 1/20 0.40
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
USP2 O75604 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4739158 0.85 RAB9A (0.59) RAB9ANPC1MAPTLMNACYP2C9
SCHEMBL3221579 0.80 CA1 (0.41) RAB9ANPC1MAPTLMNACA12
SCHEMBL16951873 0.79 NPC1 (0.41) RAB9ANPC1MAPTLMNACYP2C9
SCHEMBL16960969 0.79 VEGFA (0.41) RAB9ANPC1KMT2ACA1CA2
SCHEMBL2813660 0.78 ALDH1A1 (0.44) MAPTCYP2C9KMT2AALDH1A1KDM4E
SCHEMBL8718691 0.78 MAOA (0.53) RAB9ANPC1MAPTLMNACYP2C9
SCHEMBL2728977 0.78 NPC1 (0.49) RAB9ANPC1MAPTLMNACYP2C9
SCHEMBL16957982 0.77 NPC1 (0.45) RAB9ANPC1MAPTLMNACYP2C9
SCHEMBL16962064 0.77 NPC1 (0.39) RAB9ANPC1MAPTLMNACYP2C9
SCHEMBL23505962 0.76 RAB9A (0.47) RAB9ANPC1MAPTLMNACYP2C9

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7645763-B2 dipeptidylpeptidase-IV inhibitors; antidiabetic agents, antiarthritic agents, obesity, allograft transplantation, and osteoporosis caused by calcitonin; 1,3-disubstituted-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)-xanthine compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-12 US 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-1720875-B1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-12-10 EP 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
EP-1720875-A1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-15 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
WO-2005082906-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO claimed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US 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 disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-6136980-A Method of preparing norbenzomorphane as an intermediate in the preparation of pharmaceutically useful benzomorphane derivatives, in particular (-)-(1R,5S,2\"R)-3'-hydroxy-2-(2-methoxypropyl)-5,9,9-trimethyl-6,7-benzo morphane BOEHRINGER INGELHEIM KG (DE) 2000-10-24 US disclosed
US-6054604-A Method of preparing norbenzomorphane as an intermediate BOEHRINGER INGELHEIM KG (DE) 2000-04-25 US disclosed
US-5945535-A Method of preparing norbenzomorphanes BOEHRINGER INGELHEIM KG (DE) 1999-08-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 RAB9A 2812/4885NPC1 1815/4885MAPT 295/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 RAB9A 2916/4885NPC1 1447/4885MAPT 330/4885
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 RAB9A 2967/4885NPC1 2012/4885MAPT 340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.