SCHEMBL2832802

SCHEMBL2832802

COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2COc2nccc(CNCCCN3CCC(c4ccccc4)(N(C)C)CC3)n2)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
HTR7 P34969 2/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL2832179 0.96 NPY5R (0.32) OPRM1OPRL1TSHRCRHBPCRHR2
SCHEMBL2833634 0.90 OPRM1 (0.33) OPRM1OPRL1HTR7HTR1AHTR2A
SCHEMBL2836662 0.87 HTR7 (0.34) OPRM1OPRL1HTR7
SCHEMBL2832804 0.87 TSHR (0.32) OPRM1OPRL1TSHRCRHBPCRHR2
SCHEMBL2832192 0.87 NPY1R (0.30)
SCHEMBL2831973 0.87 NPY5R (0.32)
SCHEMBL2839328 0.86 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL2837024 0.86 OPRM1 (0.33) OPRM1OPRL1HTR7
SCHEMBL2832799 0.86 TSHR (0.31) TSHRCRHBPCRHR2
SCHEMBL2832180 0.86 TSHR (0.32) OPRM1TSHRCRHBPCRHR2

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 522/4885TSHR 370/4885

“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.