SCHEMBL644234

SCHEMBL644234

c1ccc(C(C2CCC3(CC2)OCCO3)N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.40
KCNA5 P22460 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNA1C Q13936 1/20 0.38
GRM5 P41594 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL643653 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10204155 0.86 CACNA2D1 (0.49) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL12508362 0.81 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL493481 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL645116 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL12508473 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL644654 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL493273 0.78 CACNA2D1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL643851 0.77 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL645657 0.76 HTT (0.40) ALDH1A1KMT2ATSHRL3MBTL1SMN1; SMN2

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.