SCHEMBL3411088

SCHEMBL3411088

CCOC(=O)C=C1CCC(c2cccnc2)(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRL1 P41146 3/20 0.41
ESR2 Q92731 1/20 0.41
P2RX7 Q99572 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.36
GAA P10253 3/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17438590 0.85 OPRM1 (0.52) OPRM1OPRL1ESR2L3MBTL1
SCHEMBL13657192 0.76 OPRL1 (0.44) OPRM1OPRL1SLC6A2SLC6A4ALDH1A1
SCHEMBL3407202 0.76 OPRM1 (0.43) OPRM1OPRL1P2RX7SLC6A2SLC6A4
SCHEMBL13650560 0.74 OPRM1 (0.43) OPRM1OPRL1SLC6A2SLC6A4ALDH1A1
SCHEMBL3410234 0.74 OPRL1 (0.49) OPRM1OPRL1KMT2A
SCHEMBL17438643 0.74 OPRM1 (0.46) OPRM1OPRL1ESR2SLC6A2SLC6A4
SCHEMBL29664779 0.71 OPRM1 (0.56) OPRM1SLC6A4
SCHEMBL2005769 0.71 OPRM1 (0.56) OPRM1SLC6A4
SCHEMBL2378581 0.71 OPRM1 (0.53) OPRM1OPRL1
SCHEMBL17438673 0.71 ESR2 (0.42) OPRM1ESR2ALDH1A1MAPTKDM4E

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-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 OPRM1 2798/4885OPRL1 2189/4885ESR2 2517/4885

“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.