SCHEMBL4807863

SCHEMBL4807863

CS(=O)(=O)c1nc(OCC2CCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.51
PTGS2 P35354 4/20 0.42
PTGS1 P23219 1/20 0.42
CNR2 P34972 2/20 0.42
OPRL1 P41146 3/20 0.38

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
SCHEMBL4810158 0.97 CNR1 (0.55) CNR1PTGS2PTGS1CNR2OPRL1
SCHEMBL4808587 0.85 CNR1 (0.43) CNR1CNR2
SCHEMBL4807001 0.84 CNR1 (0.56) CNR1CNR2OPRL1
SCHEMBL4807617 0.83 PTGS2 (0.38) CNR1PTGS2PTGS1CNR2OPRL1
SCHEMBL4812859 0.83 CNR1 (0.54) CNR1PTGS2CNR2OPRL1
SCHEMBL4809622 0.82 PTGS1 (0.42) CNR1PTGS1OPRL1
SCHEMBL4807181 0.81 CNR1 (0.40) CNR1PTGS2CNR2
SCHEMBL4809290 0.80 CNR1 (0.57) CNR1PTGS2CNR2OPRL1
SCHEMBL4808245 0.79 CNR1 (0.53) CNR1CNR2
SCHEMBL4801012 0.79 CNR1 (0.47) CNR1PTGS2PTGS1CNR2

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-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 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-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 CNR1 1/4885PTGS2 1847/4885PTGS1 890/4885

“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.