SCHEMBL2581610

SCHEMBL2581610

CCOC(=O)N1CCN(C(=O)C(Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.61
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
ADORA1 P30542 1/20 0.48
KMT2A Q03164 2/20 0.48
FPR1 P21462 4/20 0.48
FPR2 P25090 4/20 0.48
CTSS P25774 4/20 0.48
CTSK P43235 4/20 0.48
MAPK1 P28482 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
SCHEMBL2581609 1.00 P2RX7 (0.61) P2RX7HRH2HRH1ADORA1KMT2A
SCHEMBL9994565 0.92 P2RX7 (0.60) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL9994564 0.92 P2RX7 (0.60) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL22303692 0.89 P2RX7 (0.57) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL22338765 0.89 P2RX7 (0.57) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL6767381 0.89 FPR2 (0.59) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL5155529 0.89 FPR2 (0.59) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL5151249 0.89 FPR2 (0.59) P2RX7HRH2HRH1KMT2AFPR1
SCHEMBL12618897 0.89 P2RX7 (0.54) P2RX7HRH2HRH1ADORA1KMT2A
SCHEMBL10420634 0.88 FPR2 (0.60) P2RX7HRH2HRH1KMT2AFPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 14/4885HRH2 237/4885HRH1 604/4885

“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.