SCHEMBL2833734

SCHEMBL2833734

COc1cc(C)c(S(=O)(=O)N2CC(Oc3nccc(C(N)CCN4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.32
OPRL1 P41146 8/20 0.32
CCR5 P51681 3/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31
BDKRB1 P46663 1/20 0.31

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
SCHEMBL2835457 0.96 OPRM1 (0.32) OPRM1OPRL1FPR2PROKR1BDKRB1
SCHEMBL2834819 0.88 OPRM1 (0.31) OPRM1OPRL1CCR5TACR2TACR1
SCHEMBL2833740 0.86 BDKRB1 (0.33) OPRM1OPRL1FPR2PROKR1BDKRB1
SCHEMBL2835461 0.85 BDKRB1 (0.34) OPRM1OPRL1FPR2PROKR1BDKRB1
SCHEMBL2833737 0.85 OPRM1 (0.32) OPRM1OPRL1FPR2PROKR1BDKRB1
SCHEMBL2833659 0.84 HTR7 (0.35) OPRM1OPRL1
SCHEMBL2835307 0.84 OPRM1 (0.31) OPRM1OPRL1BDKRB1
SCHEMBL2835458 0.84 OPRM1 (0.33) OPRM1OPRL1BDKRB1
SCHEMBL2832177 0.83 TSHR (0.32)
SCHEMBL2834659 0.82 OPRM1 (0.32) OPRM1OPRL1CCR5BDKRB1

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 OPRM1 1056/4885OPRL1 522/4885CCR5 1048/4885

“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.