SCHEMBL3409948

SCHEMBL3409948

CN(C)C1(CCc2ccccc2)CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRL1 P41146 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC9A3 P48764 3/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3412772 0.94 BDKRB1 (0.44) BDKRB1OPRM1OPRL1L3MBTL1ALDH1A1
SCHEMBL3409729 0.91 MCHR1 (0.38) BDKRB1OPRM1OPRL1L3MBTL1MCHR1
SCHEMBL4111203 0.88 BDKRB1 (0.41) BDKRB1OPRM1OPRL1
SCHEMBL3412406 0.86 BDKRB1 (0.50) BDKRB1
SCHEMBL3409995 0.85 OPRM1 (0.50) BDKRB1OPRM1OPRL1L3MBTL1SLC9A3
SCHEMBL3409950 0.84 BDKRB1 (0.40) BDKRB1
SCHEMBL3412474 0.83 L3MBTL1 (0.38) BDKRB1OPRM1OPRL1L3MBTL1MCHR1
SCHEMBL3410704 0.82 NPSR1 (0.50) ALDH1A1LMNAHTTSIGMAR1CYP2D6
SCHEMBL3406387 0.81 ALDH1A1 (0.37) BDKRB1OPRM1OPRL1L3MBTL1MCHR1
SCHEMBL493938 0.81 BDKRB1 (0.36) BDKRB1L3MBTL1SLC9A3MCHR1ALDH1A1

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 6 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
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 BDKRB1 3589/4885OPRM1 2798/4885OPRL1 2189/4885

“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.