SCHEMBL2835461

SCHEMBL2835461

COc1cc(C)c(S(=O)(=O)N2CC(Oc3nccc(N(C)CCCN4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.34
OPRM1 P35372 7/20 0.32
OPRL1 P41146 6/20 0.32
HTR7 P34969 1/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 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
SCHEMBL2833740 0.96 BDKRB1 (0.33) BDKRB1OPRM1OPRL1FPR2PROKR1
SCHEMBL2835310 0.88 BDKRB1 (0.33) BDKRB1OPRM1OPRL1HTR7
SCHEMBL2835457 0.87 OPRM1 (0.32) BDKRB1OPRM1OPRL1FPR2PROKR1
SCHEMBL2832968 0.86 BDKRB1 (0.31) BDKRB1OPRM1OPRL1FPR2PROKR1
SCHEMBL2835458 0.86 OPRM1 (0.33) BDKRB1OPRM1OPRL1HTR7
SCHEMBL2833734 0.85 OPRM1 (0.32) BDKRB1OPRM1OPRL1FPR2PROKR1
SCHEMBL2830448 0.85 BDKRB1 (0.45) BDKRB1OPRM1OPRL1HTR7
SCHEMBL2833737 0.84 OPRM1 (0.32) BDKRB1OPRM1OPRL1FPR2PROKR1
SCHEMBL2836664 0.84 HTR7 (0.35) OPRM1OPRL1HTR7
SCHEMBL2834822 0.84 OPRM1 (0.32) BDKRB1OPRM1OPRL1FPR2PROKR1

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-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 BDKRB1 46/4885OPRM1 1056/4885OPRL1 522/4885

“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.