SCHEMBL2835146

SCHEMBL2835146

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2nccc(CNCCN3CCC(c4ccccc4)(N4CCCC4)CC3)n2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.33
HTR7 P34969 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CASP3 P42574 3/20 0.32
CASP7 P55210 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 1/20 0.32
CASP1 P29466 1/20 0.32
CASP2 P42575 1/20 0.32
CASP4 P49662 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
EDNRA P25101 1/20 0.32
NPY1R P25929 2/20 0.31
KCNH2 Q12809 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL2360725 0.99 HTR7 (0.34) NPY5RHTR7TMEM97SIGMAR1CASP3
SCHEMBL2839367 0.90 CASP3 (0.32) NPY5RHTR7TMEM97SIGMAR1CASP3
SCHEMBL2833661 0.89 HTR7 (0.34) NPY5RHTR7TMEM97SIGMAR1CASP3
SCHEMBL2836404 0.89 CASP3 (0.33) NPY5RHTR7TMEM97SIGMAR1CASP3
SCHEMBL2831973 0.88 NPY5R (0.32) NPY5RNPY1R
SCHEMBL2837024 0.87 OPRM1 (0.33) NPY5RHTR7TMEM97SIGMAR1CASP3
SCHEMBL14715469 0.87 LMNA (0.38) NPY5RCASP3CASP7CASP1CASP6
SCHEMBL2836662 0.85 HTR7 (0.34) NPY5RHTR7TMEM97SIGMAR1CASP3
SCHEMBL2835147 0.85 CASP3 (0.33) HTR7TMEM97SIGMAR1CASP3CASP7
SCHEMBL2832967 0.85 NPY5R (0.32) NPY5RNPY1RKCNH2NAMPT

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 NPY5R 212/4885HTR7 643/4885TMEM97 3649/4885

“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.