SCHEMBL2567462

SCHEMBL2567462

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N(C1CC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.42
CHRM4 P08173 1/20 0.41
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 1/20 0.38
CHRM2 P08172 5/20 0.38
CHRM3 P20309 5/20 0.38
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A12 P48065 1/20 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
SCHEMBL2567551 0.97 CCR4 (0.44) CCR4CHRM4DRD2DRD4OPRM1
SCHEMBL2567023 0.86 CCR4 (0.43) CCR4CHRM4DRD2DRD4CHRM2
SCHEMBL2567955 0.81 CCR4 (0.43) CCR4CHRM4DRD2SIGMAR1
SCHEMBL3775698 0.81 CCR4 (0.43) CCR4CHRM4DRD2SIGMAR1
SCHEMBL2565979 0.81 KCNH2 (0.46) CCR4CHRM4
SCHEMBL3775809 0.81 KCNH2 (0.46) CCR4CHRM4
SCHEMBL4119264 0.79 CNR1 (0.42)
SCHEMBL2564519 0.78 ALDH1A1 (0.50) OPRM1OPRK1ACHE
SCHEMBL2569914 0.77 OPRK1 (0.49) OPRM1OPRK1
SCHEMBL2569204 0.77 L3MBTL1 (0.56) CCR4SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR4 3875/4885CHRM4 4163/4885DRD2 3634/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR4 3875/4885CHRM4 4163/4885DRD2 3634/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CCR4 3875/4885CHRM4 4163/4885DRD2 3634/4885

“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.