SCHEMBL2834820

SCHEMBL2834820

COc1cc(C)c(S(=O)(=O)N2CC(Oc3ccnc(CNCCN4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.36
OPRL1 P41146 5/20 0.36
HTR1A P08908 1/20 0.31
NAAA Q02083 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL2835308 0.96 OPRM1 (0.35) OPRM1OPRL1HTR1A
SCHEMBL2834661 0.94 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL2837027 0.90 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL2835614 0.89 NAMPT (0.32) HTR1A
SCHEMBL2833737 0.88 OPRM1 (0.32) OPRM1OPRL1DRD2DRD3
SCHEMBL2834822 0.86 OPRM1 (0.32) OPRM1OPRL1NAAA
SCHEMBL2835510 0.86 HTR1A (0.30) HTR1A
SCHEMBL2835310 0.85 BDKRB1 (0.33) OPRM1OPRL1NAAA
SCHEMBL2831141 0.84 NAMPT (0.32)
SCHEMBL2834819 0.84 OPRM1 (0.31) OPRM1OPRL1NAAA

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 522/4885HTR1A 199/4885

“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.