SCHEMBL644070

SCHEMBL644070

ON=CC1CCC(C(c2ccccc2)N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRL1 P41146 3/20 0.48
CACNA2D1 P54289 5/20 0.40
CACNA1B Q00975 5/20 0.40
CACNB1 Q02641 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
KCNA5 P22460 4/20 0.40
CYP2C19 P33261 4/20 0.40
KCNH2 Q12809 4/20 0.40
CACNA1C Q13936 4/20 0.40
KCNE1 P15382 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36

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
SCHEMBL2487789 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644069 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644623 0.88 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL2489076 0.88 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644622 0.88 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL645187 0.81 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644006 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL643066 0.77 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL7054929 0.77 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL493456 0.76 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CACNA2D1

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 OPRM1 91/4885OPRD1 61/4885OPRK1 30/4885

“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.