SCHEMBL1144124

SCHEMBL1144124

CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.57
SYK P43405 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
TGM2 P21980 1/20 0.47
GAA P10253 1/20 0.47
BACE1 P56817 1/20 0.46
P2RY12 Q9H244 2/20 0.45

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
SCHEMBL1144126 1.00 P2RX7 (0.57) P2RX7SYKALDH1A1CYP1A2POLB
SCHEMBL317118 0.90 P2RX7 (0.56) P2RX7P2RY12
SCHEMBL317119 0.90 P2RX7 (0.56) P2RX7P2RY12
SCHEMBL9512398 0.90 P2RX7 (0.52) P2RX7SYK
SCHEMBL9512403 0.90 P2RX7 (0.52) P2RX7SYK
SCHEMBL26010144 0.89 CTSL (0.52) P2RX7SYK
SCHEMBL1143760 0.89 P2RX7 (0.55) P2RX7TGM2P2RY12
SCHEMBL1143765 0.89 P2RX7 (0.55) P2RX7TGM2P2RY12
SCHEMBL1143803 0.87 SYK (0.60) P2RX7SYKALDH1A1CYP1A2POLB
SCHEMBL1143806 0.87 SYK (0.60) P2RX7SYKALDH1A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-8598179-B2 Pyrazole-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2013-12-03 US disclosed
EP-2238127-B1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-15 EP disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-8044055-B2 2-phenyl-6-aminocarbonyl-pyrimidine derivatives and their use as P2Y12 receptor ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-25 US disclosed
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-02-17 US disclosed
EP-2238127-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
EP-2079711-B1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-06 EP disclosed
US-20090291962-A1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-26 US disclosed
WO-2009080227-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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 (4 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 P2RX7 15/4885SYK 825/4885ALDH1A1 2297/4885
US-20090291962-A1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR P2RY12, P2RY13, P2RY2 P2RX7 12/4885SYK 450/4885ALDH1A1 919/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 P2RX7 14/4885SYK 353/4885ALDH1A1 1522/4885
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 P2RX7 15/4885SYK 750/4885ALDH1A1 1138/4885

“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.