SCHEMBL952369

SCHEMBL952369

CCOC(=O)N1CCN(C(=O)C(N)CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.40
POLB P06746 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CTSL P07711 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL952367 1.00 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9991969 0.90 MEN1 (0.38) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9991959 0.90 MEN1 (0.38) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL951878 0.88 MEN1 (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL951877 0.88 MEN1 (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9963473 0.85 CTSK (0.40) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL6792077 0.84 CTSK (0.40) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL952605 0.80 TSHR (0.44) ALDH1A1TSHRKDM4EGAAPOLB
SCHEMBL953283 0.80 TSHR (0.44) ALDH1A1TSHRKDM4EGAAPOLB
SCHEMBL952606 0.80 TSHR (0.44) ALDH1A1TSHRKDM4EGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598179-B2 Pyrazole-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2013-12-03 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
EP-2238127-B1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-15 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-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-02-17 US disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238127-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2009080227-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 ALDH1A1 1179/4885TSHR 1012/4885MEN1 2661/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 ALDH1A1 1522/4885TSHR 1238/4885MEN1 4015/4885
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 ALDH1A1 1138/4885TSHR 1207/4885MEN1 2933/4885

“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.