SCHEMBL2580397

SCHEMBL2580397

CCOC(=O)N1CCN(C(=O)C(Cc2cccc(OCc3ccccc3)c2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.55
P2RY12 Q9H244 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
YAP1 P46937 3/20 0.51
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
KMT2A Q03164 2/20 0.50
ADORA1 P30542 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL2583794 0.91 P2RX7 (0.63) P2RX7P2RY12YAP1HRH2HRH1
SCHEMBL2583790 0.91 P2RX7 (0.63) P2RX7P2RY12YAP1HRH2HRH1
SCHEMBL14576372 0.86 ACE (0.53) YAP1
SCHEMBL16466473 0.85 P2RX7 (0.63) P2RX7HRH2HRH1KMT2AADORA1
SCHEMBL20612380 0.85 P2RX7 (0.63) P2RX7HRH2HRH1KMT2AADORA1
SCHEMBL16466268 0.85 P2RX7 (0.63) P2RX7HRH2HRH1KMT2AADORA1
SCHEMBL2577537 0.85 P2RX7 (0.52) P2RX7P2RY12HRH2HRH1KMT2A
SCHEMBL2538853 0.82 PPARA (0.60) P2RX7P2RY12ALDH1A1KMT2AADORA1
SCHEMBL2538849 0.82 PPARA (0.60) P2RX7P2RY12ALDH1A1KMT2AADORA1
SCHEMBL12618897 0.82 P2RX7 (0.54) P2RX7P2RY12HRH2HRH1KMT2A

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 P2RX7 14/4885P2RY12 1/4885KDM4E 3585/4885

“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.