SCHEMBL493445

SCHEMBL493445

NCC1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
KCNA5 P22460 1/20 0.40
CACNA2D1 P54289 4/20 0.40
CACNA1B Q00975 4/20 0.40
CACNB1 Q02641 4/20 0.40
CACNA1C Q13936 3/20 0.40
PIK3CB P42338 1/20 0.40
DPP4 P27487 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 1/20 0.38
TSHR P16473 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
SCHEMBL493629 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL493481 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL12508473 0.81 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL644654 0.81 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL12508362 0.81 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL493273 0.78 CACNA2D1 (0.57) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL645116 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL644155 0.78 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL643851 0.77 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL644459 0.76 POLB (0.40) PIK3CBDPP4ALDH1A1TSHR

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
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
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

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 OPRM1 20/4885OPRD1 8/4885OPRK1 1/4885
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.