SCHEMBL3409729

SCHEMBL3409729

CN(C)C1(CCc2ccccc2)CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
BDKRB1 P46663 4/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
NR2F2 P24468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL3409948 0.91 BDKRB1 (0.38) MCHR1BDKRB1SIGMAR1CYP1A2CYP3A4
SCHEMBL3412772 0.87 BDKRB1 (0.44) BDKRB1SIGMAR1OPRM1OPRL1L3MBTL1
SCHEMBL3407239 0.85 SMN1; SMN2 (0.37) MCHR1BDKRB1MAPTKMT2AALDH1A1
SCHEMBL3408492 0.83 MCHR1 (0.39) MCHR1BDKRB1SIGMAR1NR2F2TDP1
SCHEMBL4111203 0.83 BDKRB1 (0.41) BDKRB1OPRM1OPRL1
SCHEMBL3412648 0.81 BDKRB1 (0.38) MCHR1BDKRB1SIGMAR1OPRM1OPRL1
SCHEMBL3412406 0.81 BDKRB1 (0.50) BDKRB1
SCHEMBL3410704 0.81 NPSR1 (0.50) SIGMAR1CYP2D6KMT2AALDH1A1LMNA
SCHEMBL493134 0.80 MCHR1 (0.38) MCHR1SIGMAR1NR2F2TDP1L3MBTL1
SCHEMBL3409950 0.79 BDKRB1 (0.40) BDKRB1MAPT

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 MCHR1 4632/4885BDKRB1 3589/4885SIGMAR1 1349/4885

“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.