SCHEMBL2834896

SCHEMBL2834896

COc1cc(C)c(S(=O)(=O)N(C)CCOc2nccc(N3CCC4(CC3)C(=O)NCN4c3ccccc3)n2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.44
OPRL1 P41146 11/20 0.44
HTR1A P08908 3/20 0.41
OPRK1 P41145 8/20 0.41
OPRD1 P41143 7/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A9 P48067 4/20 0.40
SLC6A5 Q9Y345 4/20 0.40
ADRB1 P08588 2/20 0.39
DRD2 P14416 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
ADRA1B P35368 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NR1I2 O75469 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL2833067 0.84 BDKRB1 (0.38)
SCHEMBL2831993 0.84 BDKRB1 (0.40) OPRM1OPRL1
SCHEMBL2832616 0.82 HCRTR2 (0.41)
SCHEMBL2836460 0.81 CYP2D6 (0.41) CYP1A2CYP2D6
SCHEMBL2831948 0.80 SLC6A9 (0.42) OPRM1OPRL1HTR1AOPRK1OPRD1
SCHEMBL2832740 0.80 SLC6A9 (0.44) OPRM1OPRL1HTR1AOPRK1OPRD1
SCHEMBL2831957 0.80 BDKRB1 (0.42)
SCHEMBL2831005 0.79 BDKRB1 (0.41)
SCHEMBL2837008 0.79 OPRD1 (0.43) OPRD1
SCHEMBL2833763 0.79 GHSR (0.40) ALDH1A1CYP1A2CYP2D6

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 522/4885HTR1A 199/4885

“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.