SCHEMBL644607

SCHEMBL644607

CN1CCN(C(c2ccc(F)cc2)C2CCN(C(=O)CC(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.60
CACNA1B Q00975 4/20 0.60
CACNB1 Q02641 4/20 0.60
CACNA1C Q13936 4/20 0.60
BDKRB1 P46663 14/20 0.48
RAB9A P51151 1/20 0.46
BDKRB2 P30411 7/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL644970 0.95 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL645024 0.93 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL643832 0.84 BDKRB1 (0.49) BDKRB1BDKRB2
SCHEMBL642813 0.83 BDKRB1 (0.49) BDKRB1BDKRB2
SCHEMBL3404305 0.81 RAB9A (0.50) BDKRB1RAB9ABDKRB2ALDH1A1MAPT
SCHEMBL2797186 0.80 CACNA2D1 (0.92) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3405377 0.76 RAB9A (0.45) BDKRB1RAB9ABDKRB2ALDH1A1KMT2A
SCHEMBL3410238 0.76 BDKRB1 (0.47) BDKRB1RAB9ABDKRB2ALDH1A1KMT2A
SCHEMBL4374587 0.75 BDKRB1 (0.47) BDKRB1RAB9ABDKRB2ALDH1A1KMT2A
SCHEMBL3409680 0.75 BDKRB1 (0.48) BDKRB1RAB9ABDKRB2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A CACNA2D1 1158/4885CACNA1B 279/4885CACNB1 858/4885

“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.