SCHEMBL644028

SCHEMBL644028

CN1CCN(C(c2ccccc2)C2CCC(=NO)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.54
CACNA1B Q00975 5/20 0.54
CACNB1 Q02641 5/20 0.54
CACNA1C Q13936 4/20 0.54
CHRM3 P20309 4/20 0.47
OPRM1 P35372 4/20 0.47
CHRM2 P08172 4/20 0.47
ADRA2A P08913 4/20 0.47
CHRM1 P11229 4/20 0.47
DRD1 P21728 4/20 0.47
DRD3 P35462 4/20 0.47
SLC6A3 Q01959 4/20 0.47
KCNH2 Q12809 4/20 0.47
CYP2D6 P10635 4/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL644006 0.87 OPRM1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL643066 0.86 OPRM1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL644396 0.83 OPRM1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL646726 0.83 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL493711 0.78 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL493178 0.78 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL2791280 0.77 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL10204155 0.73 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3
SCHEMBL2790454 0.73 CACNA2D1 (0.91) CACNA2D1CACNA1BCACNB1CACNA1CTDP1
SCHEMBL3395013 0.72 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCHRM3

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 16 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
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
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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 (2 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CACNA2D1 638/4885CACNA1B 1416/4885CACNB1 3167/4885
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.