SCHEMBL2585308

SCHEMBL2585308

CCOC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41

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
SCHEMBL2585311 1.00 P2RY12 (0.50) P2RY12CYP1A2CYP2C9CYP2C19HTT
SCHEMBL9840610 0.87 TSHR (0.44) P2RY12TSHRITGB3ITGA2B
SCHEMBL9840492 0.85 TSHR (0.42) P2RY12TSHRITGB3ITGA2B
SCHEMBL3332100 0.83 CYP1A2 (0.44) P2RY12CYP1A2CYP2C9CYP2C19HTT
SCHEMBL3332096 0.83 CYP1A2 (0.44) P2RY12CYP1A2CYP2C9CYP2C19HTT
SCHEMBL715949 0.83 P2RY12 (0.54) P2RY12
SCHEMBL694161 0.83 P2RY12 (0.54) P2RY12
SCHEMBL1143713 0.83 P2RY12 (0.42) P2RY12CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1143712 0.83 P2RY12 (0.42) P2RY12CYP1A2CYP2C9CYP2C19HTT
SCHEMBL316667 0.80 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 P2RY12 1/4885CYP1A2 1651/4885CYP2C9 1012/4885

“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.