SCHEMBL394603

SCHEMBL394603

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.52
SSTR3 P32745 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
PKM P14618 2/20 0.48
HSD17B10 Q99714 2/20 0.48
XBP1 P17861 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL394602 1.00 PTPRB (0.52) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL395652 0.90 CTSS (0.47) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL1196923 0.90 PTPRB (0.49) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL8240165 0.90 CTSS (0.55) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL23770317 0.90 PTPRB (0.52) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL1196547 0.90 PTPRB (0.44) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL1196546 0.90 PTPRB (0.44) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL27571239 0.89 CTSK (0.50) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL27571238 0.89 CTSK (0.50) PTPRBSSTR3ALDH1A1TSHRLMNA
SCHEMBL5486443 0.88 SSTR3 (0.47) PTPRBSSTR3NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY 2005-12-22 US disclosed
US-6852725-B1 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S. A. S. (FR) 2005-02-08 US disclosed
EP-1086086-B1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS CONSEILS DE RECH SET D APPLIC (FR) 2004-10-13 EP disclosed
US-20040176379-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2004-09-09 US disclosed
EP-1086086-A1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-03-28 EP disclosed
WO-1999064401-A2 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 1999-12-16 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 (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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PTPRB 2919/4885SSTR3 1516/4885ALDH1A1 4184/4885
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 PTPRB 2919/4885SSTR3 1516/4885ALDH1A1 4184/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PTPRB 2919/4885SSTR3 1516/4885ALDH1A1 4184/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PTPRB 2919/4885SSTR3 1516/4885ALDH1A1 4184/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 PTPRB 1256/4885SSTR3 2/4885ALDH1A1 2490/4885
US-20040176379-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 PTPRB 1205/4885SSTR3 2/4885ALDH1A1 2475/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR PTPRB 2522/4885SSTR3 8/4885ALDH1A1 4368/4885
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide F11, TFPI, F12 PTPRB 3106/4885SSTR3 3320/4885ALDH1A1 3601/4885

“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.