SCHEMBL3033289

SCHEMBL3033289

NC[C@H]1CCN(C(=O)O)C[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.35
GABRR2 P28476 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GAA P10253 1/20 0.32
DPP4 P27487 2/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL5500989 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL1318390 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3276769 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3031676 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3033285 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3031679 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL16977621 0.84 EPHX2 (0.34) DPP7GAADPP4
SCHEMBL3025369 0.83 CYP46A1 (0.34) GAACYP46A1
SCHEMBL3025364 0.83 CYP46A1 (0.34) GAACYP46A1
SCHEMBL1314601 0.83 CYP46A1 (0.34) GAACYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 US disclosed
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 US disclosed
EP-1638959-B1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA NV (BE) 2007-09-19 EP disclosed
EP-1641784-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-7205410-B2 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A 2006-06-29 US disclosed
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A 2006-06-29 US disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2004-03-25 US disclosed
EP-1000028-B1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-26 EP disclosed
US-6635643-B2 For treating conditions which are related to impairment of gastric emptying JANSSEN PHARMACEUTICA, N.V. (BE) 2003-10-21 US disclosed
US-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-09-25 US disclosed
US-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-04-24 US disclosed
US-6544997-B1 E.g., hypermotility, irritable bowel syndrome, bowel hypersensitivity and the reduction of pain associated with gastrointestinal hypersensitivity and/or hyperactivity JANSSEN PHARMACEUTICA, N.V. (BE) 2003-04-08 US disclosed
EP-0991410-B1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-10-30 EP disclosed
US-6452013-B1 FOR TREATING CONDITIONS WHICH ARE RELATED TO IMPAIRMENT OF GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-17 US disclosed
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2002-07-04 US disclosed
EP-1206938-A1 Gastrokinetic bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)- piperdine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP 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 (8 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-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, ALK, CBR1 GABRR1 79/4885GABRR2 126/4885DPP7 1700/4885
US-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 GABRR1 38/4885GABRR2 66/4885DPP7 3703/4885
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 GABRR1 39/4885GABRR2 66/4885DPP7 3700/4885
US-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders HRH2, ALK, CBR1 GABRR1 93/4885GABRR2 137/4885DPP7 1197/4885
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides HTR4, HTR2B, TPH2 GABRR1 453/4885GABRR2 362/4885DPP7 891/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 GABRR1 25/4885GABRR2 32/4885DPP7 1510/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC GABRR1 502/4885GABRR2 505/4885DPP7 1072/4885
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives ALK, HRH2, CBR1 GABRR1 37/4885GABRR2 49/4885DPP7 2112/4885

“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.