SCHEMBL255230

SCHEMBL255230

N[C@H](C=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SRC P12931 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
SCHEMBL1036921 1.00 DPP4 (0.50) DPP4F2CYP2D6HTR2ATAAR1
SCHEMBL3754568 1.00 DPP4 (0.50) DPP4F2CYP2D6HTR2ATAAR1
Hydrochloric Acid SCHEMBL28664928 0.97 DPP4 (0.48) DPP4F2CYP2D6HTR2ATAAR1
Ammonia Solution, Strong SCHEMBL28379624 0.97 DPP4 (0.48) DPP4F2CYP2D6HTR2ATAAR1
Hydrochloric Acid SCHEMBL20900097 0.97 DPP4 (0.48) DPP4F2CYP2D6HTR2ATAAR1
SCHEMBL5534886 0.86 CHRNB2 (0.47) DPP4TAAR1
Hydrochloric Acid SCHEMBL13738816 0.83 TYR (0.33)
Hydrochloric Acid SCHEMBL3388587 0.77 DRD1 (0.32)
Hydrochloric Acid SCHEMBL2035158 0.77 DRD1 (0.32)
SCHEMBL21335077 0.77 DPP4 (0.42) DPP4F2CYP2D6HTR2ATAAR1

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-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
WO-2015155976-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE 第一三共株式会社 2015-10-15 WO disclosed
WO-2014151729-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 WO disclosed
WO-2012031228-A2 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-08 WO disclosed
US-7884223-B2 N-isopropylphenethylamine; N-(2,6-dimethoxybenzyl)1-phenethylamine; (R,R) N-(1-naphth-1-ylethyl)-1-phenethylamine; high activity; easily accessible DSM IP ASSETS B.V. (NL) 2011-02-08 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-6900322-B1 Method for stereochemically controlled production of isomerically pure highly substituted azacyclic compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-31 US disclosed
EP-1076646-B1 METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS SOLVAY PHARM GMBH (DE) 2004-08-04 EP disclosed
EP-1076646-A1 METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2001-02-21 EP disclosed
WO-1999058500-A1 METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 1999-11-18 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 (1 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP DPP4 26/4885F2 569/4885CYP2D6 3181/4885

“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.