SCHEMBL3828231

SCHEMBL3828231

O=C(COC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.46
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 1/20 0.42
CNR1 P21554 1/20 0.41
ACLY P53396 2/20 0.40
CHRM4 P08173 2/20 0.40

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
SCHEMBL5132135 0.94 CCR1 (0.51) CCR1CNR1
SCHEMBL3828071 0.88 EPHX2 (0.44) EPHX2CNR1ACLY
SCHEMBL5131253 0.87 CNR1 (0.40) CCR1CNR1ACLY
SCHEMBL5122673 0.83 CCR1 (0.45) CCR1EPHX2HSD11B1ACLYCHRM4
SCHEMBL5126115 0.83 EPHX2 (0.43) EPHX2CNR1ACLY
SCHEMBL5126213 0.81 OPRM1 (0.46) CCR1
SCHEMBL5131580 0.80 CCR1 (0.50) CCR1CNR1
SCHEMBL494593 0.79 CNR1 (0.50) EPHX2CNR1ACLY
SCHEMBL5122795 0.77 SLC6A9 (0.42) CCR1
SCHEMBL5128284 0.77 CCR1 (0.48) CCR1HSD11B1CNR1

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 7 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
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO 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 CCR1 598/4885EPHX2 1287/4885HSD11B1 2319/4885

“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.