SCHEMBL643105

SCHEMBL643105

O=C(O)N1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CACNA2D1 P54289 4/20 0.51
CACNA1B Q00975 4/20 0.51
CACNB1 Q02641 4/20 0.51
CACNA1C Q13936 3/20 0.51
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 3/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
HIF1A Q16665 1/20 0.44
KCNA5 P22460 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2792749 0.86 CACNA2D1 (0.71) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2793133 0.85 CACNA2D1 (0.54) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27587930 0.83 GPR119 (0.54) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2792223 0.82 MEN1 (0.64) CACNA2D1CACNA1BCACNB1CACNA1CCYP3A4
SCHEMBL2796233 0.82 CACNA2D1 (0.51) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL12508362 0.81 OPRM1 (0.57) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL643851 0.80 OPRM1 (0.44) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL28554103 0.80 OPRM1 (0.57) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL645116 0.78 OPRM1 (0.45) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL644654 0.78 OPRM1 (0.45) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 511/4885CACNA2D1 1158/4885CACNA1B 279/4885

“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.