SCHEMBL2837008

SCHEMBL2837008

COc1cc(C)c(S(=O)(=O)N(C)CCOc2nccc(N3CCC4(CC3)OCc3ccccc34)n2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.43
AVPR1A P37288 9/20 0.39
BDKRB1 P46663 6/20 0.38
HRH3 Q9Y5N1 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 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
SCHEMBL2831993 0.83 BDKRB1 (0.40) BDKRB1
SCHEMBL2833067 0.81 BDKRB1 (0.38) BDKRB1
SCHEMBL2836460 0.80 CYP2D6 (0.41) BDKRB1
SCHEMBL2836490 0.80 OPRD1 (0.41) OPRD1AVPR1ATNKSTNKS2
SCHEMBL2836467 0.80 OPRD1 (0.41) OPRD1AVPR1ATNKSTNKS2
SCHEMBL2831005 0.79 BDKRB1 (0.41) BDKRB1
SCHEMBL2832616 0.79 HCRTR2 (0.41) BDKRB1
SCHEMBL2832272 0.79 CRHR1 (0.38) BDKRB1
SCHEMBL2834896 0.79 OPRM1 (0.44) OPRD1
SCHEMBL2831957 0.79 BDKRB1 (0.42) BDKRB1

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-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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 (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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS OPRD1 1063/4885AVPR1A 227/4885BDKRB1 46/4885

“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.