SCHEMBL643255

SCHEMBL643255

NC(=O)C1CCC(C(c2ccccc2)N2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
GAA P10253 1/20 0.47
CACNA2D1 P54289 3/20 0.45
CACNA1B Q00975 3/20 0.45
CACNB1 Q02641 3/20 0.45
CACNA1C Q13936 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL3662053 0.81 CACNA2D1 (0.46) TDP1OPRM1OPRD1OPRK1OPRL1
SCHEMBL492900 0.81 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL7054929 0.80 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL493456 0.79 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL5028615 0.78 CACNA2D1 (0.50) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644900 0.77 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL643619 0.76 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL645187 0.75 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL493629 0.75 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL643012 0.75 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1GAA

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 4 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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 TDP1 4140/4885OPRM1 91/4885OPRD1 61/4885

“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.