SCHEMBL3829142

SCHEMBL3829142

Cc1cc(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.45
OPRL1 P41146 9/20 0.45
OPRD1 P41143 6/20 0.45
OPRK1 P41145 4/20 0.45
SIGMAR1 Q99720 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD5 P21918 3/20 0.37
SLC6A2 P23975 3/20 0.37
HRH2 P25021 3/20 0.37
HTR1D P28221 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
HTR7 P34969 3/20 0.37

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
SCHEMBL5131228 0.89 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL5132309 0.88 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3822339 0.87 HCRTR1 (0.40) HCRTR1HCRTR2BDKRB1NPC1RAB9A
SCHEMBL5131365 0.87 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5126207 0.87 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5131363 0.86 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5128532 0.86 SIGMAR1 (0.44) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5131952 0.85 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5127145 0.84 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5128658 0.84 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1SIGMAR1

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-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 OPRM1 232/4885OPRL1 10/4885OPRD1 273/4885

“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.