SCHEMBL2836660

SCHEMBL2836660

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2nccc(C(N)CCCN3CCC(c4ccccc4)(N(C)C)CC3)n2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CASP3 P42574 14/20 0.33
CASP7 P55210 6/20 0.33
OPRM1 P35372 2/20 0.32
CASP1 P29466 2/20 0.32
CASP6 P55212 2/20 0.32
CASP2 P42575 1/20 0.32
CASP4 P49662 1/20 0.32
CASP9 P55211 1/20 0.32
CASP8 Q14790 1/20 0.32
RAB9A P51151 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL2837022 0.98 HTR7 (0.32) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2833659 0.96 HTR7 (0.35) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2832093 0.89 CASP3 (0.33) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2839674 0.87 CASP3 (0.31) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2836664 0.87 HTR7 (0.35) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2832799 0.87 TSHR (0.31)
SCHEMBL2833664 0.86 CASP3 (0.36) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2836662 0.85 HTR7 (0.34) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2837026 0.85 HTR7 (0.33) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2836448 0.85 CASP3 (0.33) HTR7TMEM97SIGMAR1CASP3CASP7

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 HTR7 643/4885TMEM97 3649/4885SIGMAR1 1220/4885

“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.