SCHEMBL3407399

SCHEMBL3407399

CN(C)C1(c2cccnc2)CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.50
OPRM1 P35372 14/20 0.50
OPRK1 P41145 3/20 0.44
ALDH1A1 P00352 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
SCHEMBL2202322 0.80 OPRL1 (0.70) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL517855 0.79 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL1721462 0.78 ALDH1A1 (0.48) OPRL1OPRM1OPRK1ALDH1A1
SCHEMBL3407459 0.78 VNN1 (0.40) OPRL1OPRM1OPRK1ALDH1A1
SCHEMBL3406898 0.76 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL3410234 0.75 OPRL1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL3410998 0.75 HSD11B1 (0.39) OPRM1ALDH1A1
SCHEMBL17443954 0.74 SLC6A4 (0.33) OPRL1OPRM1
SCHEMBL3924344 0.74 OPRM1 (0.46) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL4254876 0.73 OPRL1 (0.44) OPRL1OPRM1OPRK1

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
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
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 OPRL1 2189/4885OPRM1 2798/4885OPRK1 2548/4885

“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.