SCHEMBL3409995

SCHEMBL3409995

CN(C)C1(c2ccccc2)CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.50
OPRL1 P41146 12/20 0.50
BDKRB1 P46663 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ESR2 Q92731 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC9A3 P48764 1/20 0.34

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
SCHEMBL3406387 0.87 ALDH1A1 (0.37) OPRM1OPRL1BDKRB1L3MBTL1ALDH1A1
SCHEMBL3409948 0.85 BDKRB1 (0.38) OPRM1OPRL1BDKRB1L3MBTL1ALDH1A1
SCHEMBL3412474 0.82 L3MBTL1 (0.38) OPRM1OPRL1BDKRB1L3MBTL1ALDH1A1
SCHEMBL3410955 0.81 OPRM1 (0.39) OPRM1OPRL1BDKRB1ALDH1A1
SCHEMBL492815 0.81 BDKRB1 (0.36) BDKRB1L3MBTL1KDM4EALDH1A1GLA
SCHEMBL493180 0.80 L3MBTL1 (0.36) BDKRB1L3MBTL1KDM4EALDH1A1GLA
SCHEMBL492816 0.80 BDKRB1 (0.36) BDKRB1L3MBTL1KDM4EALDH1A1GLA
SCHEMBL493265 0.78 BDKRB1 (0.35) BDKRB1KDM4EALDH1A1GLAPOLB
SCHEMBL492975 0.78 CACNA2D1 (0.37) BDKRB1L3MBTL1ALDH1A1POLBGAA
SCHEMBL493531 0.78 BDKRB1 (0.38) BDKRB1L3MBTL1KDM4EALDH1A1GLA

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-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 OPRM1 2798/4885OPRL1 2189/4885BDKRB1 3589/4885

“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.