SCHEMBL13650545

SCHEMBL13650545

CCOC(=O)CCC1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.57
OPRL1 P41146 15/20 0.57
SLC22A1 O15245 1/20 0.45
OPRK1 P41145 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL2380279 0.87 OPRL1 (0.55) OPRM1OPRL1SLC22A1OPRK1
SCHEMBL2380277 0.87 OPRL1 (0.55) OPRM1OPRL1SLC22A1OPRK1
SCHEMBL13650560 0.86 OPRM1 (0.43) OPRM1OPRL1SLC22A1TDP1L3MBTL1
SCHEMBL2200217 0.80 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL2379490 0.76 OPRL1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL4356857 0.76 OPRL1 (0.59) OPRM1OPRL1OPRK1
SCHEMBL2780290 0.76 OPRL1 (0.59) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2379486 0.75 OPRL1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL4702248 0.75 OPRL1 (0.55) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2378571 0.74 OPRL1 (0.58) OPRM1OPRL1OPRK1

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
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 2189/4885SLC22A1 754/4885

“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.