SCHEMBL2835458

SCHEMBL2835458

COc1cc(C)c(S(=O)(=O)N2CC(Oc3nccc(CNCCCN4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.33
OPRL1 P41146 2/20 0.33
CCR8 P51685 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2A P28223 1/20 0.32
CCR3 P51677 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
BDKRB1 P46663 2/20 0.31
HTR7 P34969 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2833737 0.96 OPRM1 (0.32) OPRM1OPRL1BDKRB1
SCHEMBL2835308 0.88 OPRM1 (0.35) OPRM1OPRL1CCR8SLC6A2SLC6A4
SCHEMBL2835461 0.86 BDKRB1 (0.34) OPRM1OPRL1BDKRB1HTR7
SCHEMBL2832967 0.85 NPY5R (0.32) OPRM1OPRL1
SCHEMBL2835457 0.85 OPRM1 (0.32) OPRM1OPRL1BDKRB1
SCHEMBL2836662 0.84 HTR7 (0.34) OPRM1OPRL1HTR7
SCHEMBL2833740 0.84 BDKRB1 (0.33) OPRM1OPRL1BDKRB1
SCHEMBL2837024 0.84 OPRM1 (0.33) OPRM1OPRL1HTR7
SCHEMBL2834820 0.84 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL2833734 0.84 OPRM1 (0.32) OPRM1OPRL1BDKRB1

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 522/4885CCR8 1755/4885

“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.