SCHEMBL596166

SCHEMBL596166

Nc1cccc(O[C@H]2CCN(C(=O)O)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.44
EPHX2 P34913 6/20 0.43
CHRM3 P20309 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCD5 Q86SK9 1/20 0.42
SPR P35270 1/20 0.41
PARP14 Q460N5 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL596167 1.00 OPRK1 (0.44) OPRK1EPHX2CHRM3MEN1KMT2A
SCHEMBL3292130 0.92 OPRK1 (0.49) OPRK1EPHX2CHRM3MEN1KMT2A
SCHEMBL796833 0.85 EPHX2 (0.53) EPHX2CHRM3SCD5RIPK1
SCHEMBL2532124 0.85 EPHX2 (0.53) EPHX2CHRM3SCD5RIPK1
SCHEMBL796858 0.85 EPHX2 (0.53) EPHX2CHRM3SCD5RIPK1
SCHEMBL15637558 0.85 SLC6A2 (0.48) OPRK1EPHX2MEN1KMT2ASCD5
SCHEMBL9900658 0.85 EPHX2 (0.57) EPHX2KMT2A
SCHEMBL2521381 0.85 EPHX2 (0.57) EPHX2
SCHEMBL18586407 0.83 OPRK1 (0.47) OPRK1EPHX2CHRM3
SCHEMBL594896 0.82 SRD5A1 (0.45) EPHX2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 EP disclosed
US-11034700-B2 Substituted pyrrolidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-15 US disclosed
US-20200392149-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-17 US disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO 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 (6 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT OPRK1 4115/4885EPHX2 735/4885CHRM3 4625/4885
US-11034700-B2 Substituted pyrrolidine compound and use thereof HCRTR2, HCRTR1, CRHR2 OPRK1 95/4885EPHX2 2445/4885CHRM3 639/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT OPRK1 4115/4885EPHX2 735/4885CHRM3 4625/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT OPRK1 4115/4885EPHX2 735/4885CHRM3 4625/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT OPRK1 4115/4885EPHX2 735/4885CHRM3 4625/4885
US-20200392149-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CRHR2 OPRK1 95/4885EPHX2 2445/4885CHRM3 639/4885

“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.