SCHEMBL2832967

SCHEMBL2832967

COc1cc(C)c(S(=O)(=O)N2CC(Oc3nccc(CNCCN4CCC(c5ccccc5)(N5CCCC5)CC4)n3)C2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.32
NAMPT P43490 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
NPY1R P25929 2/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 0.30
OPRD1 P41143 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 0.89 OPRM1 (0.32) NPY5RDRD2DRD3NPY1ROPRM1
SCHEMBL2835614 0.88 NAMPT (0.32) NPY5RNAMPTNPY1RKCNH2
SCHEMBL2835458 0.85 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL2360725 0.85 HTR7 (0.34) NPY5RNPY1RKCNH2
SCHEMBL2835146 0.85 NPY5R (0.33) NPY5RNAMPTNPY1RKCNH2
SCHEMBL2832968 0.85 BDKRB1 (0.31) OPRM1OPRL1
SCHEMBL2835188 0.84
SCHEMBL2831141 0.83 NAMPT (0.32) NPY5RNAMPTNPY1RKCNH2
SCHEMBL2835979 0.83 SLC6A9 (0.33) NPY1RKCNH2OPRM1OPRD1
SCHEMBL2831973 0.83 NPY5R (0.32) NPY5RNPY1R

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 4 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-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 NPY5R 212/4885NAMPT 1899/4885DRD2 672/4885

“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.