SCHEMBL493239

SCHEMBL493239

CN(C)C(c1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 7/20 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
SCHEMBL17900515 0.83 GAA (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL13903208 0.83 GAA (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL6258817 0.81 IDO1 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL645073 0.80 KDM4E (0.36) SLC6A4SLC6A3
SCHEMBL1327227 0.79 OPRM1 (0.41) OPRD1SLC6A4SLC6A3
SCHEMBL643245 0.79 IDO1 (0.38) SLC6A4SLC6A3
SCHEMBL493016 0.79 OPRL1 (0.42) SLC6A4SLC6A3
SCHEMBL1326984 0.78 KDM4E (0.40) SLC6A4SLC6A3
SCHEMBL492709 0.77 ALDH1A1 (0.34) OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL13476460 0.76 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3

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 9 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
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 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
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

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 OPRD1 8/4885SLC6A2 2372/4885SLC6A4 2704/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A OPRD1 61/4885SLC6A2 873/4885SLC6A4 349/4885

“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.