SCHEMBL3407202

SCHEMBL3407202

CCOC(=O)CC1CCC(c2cccnc2)(N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRL1 P41146 6/20 0.43
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CASP1 P29466 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPT P10636 1/20 0.38
CASP7 P55210 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TBXAS1 P24557 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
P2RX7 Q99572 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
SCHEMBL13650560 0.89 OPRM1 (0.43) OPRM1OPRL1ALDH1A1GAAKDM4E
SCHEMBL2380277 0.86 OPRL1 (0.55) OPRM1OPRL1
SCHEMBL2380279 0.86 OPRL1 (0.55) OPRM1OPRL1
SCHEMBL3408534 0.77 OPRL1 (0.46) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL4114193 0.76 OPRL1 (0.48) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL13657193 0.76 OPRL1 (0.43) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL3411088 0.76 OPRM1 (0.41) OPRM1OPRL1ALDH1A1GAAKDM4E
SCHEMBL3410991 0.76 OPRM1 (0.44) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL17731258 0.75 TSHR (0.48) ALDH1A1GAAKDM4ECASP1HPGD
SCHEMBL13650562 0.75 OPRM1 (0.39) OPRM1OPRL1GAASLC6A2SLC6A4

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 3 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
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 2189/4885ALDH1A1 863/4885

“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.