SCHEMBL2883224

SCHEMBL2883224

NC[C@@H]1CCCCN1[C@@H](CO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
OPRL1 P41146 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 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
SCHEMBL4727655 1.00 KDM4E (0.41) KDM4EOPRL1CYP1A2CYP2D6HIF1A
SCHEMBL2888254 0.80 HCRTR1 (0.44) KDM4ECYP1A2CYP2D6
SCHEMBL12734441 0.79 CYP2D6 (0.41) OPRL1CYP1A2CYP2D6HIF1A
SCHEMBL12734546 0.79 CYP2D6 (0.41) OPRL1CYP1A2CYP2D6HIF1A
SCHEMBL24359263 0.77 OPRM1 (0.42) OPRL1CYP1A2CYP2D6HIF1A
SCHEMBL31649403 0.77 OPRL1 (0.41) KDM4EOPRL1
SCHEMBL27620525 0.76 HCRTR1 (0.41) KDM4ECYP2D6
SCHEMBL27620524 0.76 HCRTR1 (0.41) KDM4ECYP2D6
SCHEMBL19934949 0.76 DPP4 (0.46) KDM4EOPRL1CYP1A2CYP2D6
SCHEMBL6575510 0.76 CKS1B (0.41) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
EP-2190842-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE Glaxo Group Limited (GB) 2010-06-02 EP disclosed
WO-2009034133-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed
WO-2009034133-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1289955-B1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2005-04-13 EP disclosed
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 US disclosed
US-6677354-B2 TREATING SLEEP, BRAIN, SEXUAL, CARDIOVASCULAR, NERVOUS SYSTEM, PSYCHOLOGICAL, GLANDULAR, AND GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-13 US disclosed
US-20030186964-A1 Piperdines for use as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-02 US disclosed
EP-1289955-A1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001096302-A1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-12-20 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 (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-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE HLA-DRB1, HLA-C, BRCA1 KDM4E 3560/4885OPRL1 607/4885CYP1A2 44/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 KDM4E 1703/4885OPRL1 13/4885CYP1A2 512/4885
US-20030186964-A1 Piperdines for use as orexin receptor antagonists HCRTR2, HCRTR1, NPSR1 KDM4E 1521/4885OPRL1 6/4885CYP1A2 642/4885

“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.