SCHEMBL2832804

SCHEMBL2832804

COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2COc2nccc(N(C)CCCN3CCC(c4ccccc4)(N(C)C)CC3)n2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
BDKRB1 P46663 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL2832180 0.96 TSHR (0.32) TSHRCRHBPCRHR2OPRM1
SCHEMBL2833635 0.89 TSHR (0.32) TSHRCRHBPCRHR2BDKRB1OPRM1
SCHEMBL2832799 0.88 TSHR (0.31) TSHRCRHBPCRHR2
SCHEMBL2831976 0.88
SCHEMBL2832802 0.87 OPRM1 (0.31) TSHRCRHBPCRHR2OPRM1OPRL1
SCHEMBL2836664 0.86 HTR7 (0.35) OPRM1OPRL1
SCHEMBL2832195 0.86 LMNA (0.31) TSHRCRHBPCRHR2BDKRB1
SCHEMBL2832177 0.86 TSHR (0.32) TSHRCRHBPCRHR2
SCHEMBL2837026 0.86 HTR7 (0.33) BDKRB1OPRM1OPRL1
SCHEMBL2832179 0.85 NPY5R (0.32) TSHRCRHBPCRHR2OPRM1OPRL1

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 TSHR 370/4885CRHBP 3317/4885CRHR2 1990/4885

“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.