SCHEMBL3406898

SCHEMBL3406898

CN(C)C1(c2cccnc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.50
OPRM1 P35372 11/20 0.50
OPRK1 P41145 2/20 0.44
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL13139599 0.79 OPRM1 (0.41) OPRL1OPRM1CHRNB2CHRNA4
SCHEMBL3406160 0.79 OPRL1 (0.45) OPRL1OPRM1OPRK1
SCHEMBL3410234 0.79 OPRL1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL2834926 0.78 OPRM1 (0.72) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL2331328 0.77 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL3407399 0.76 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL23647413 0.76 OPRM1 (0.41) OPRM1CHRNB2CHRNA4
SCHEMBL31158371 0.76 OPRM1 (0.41) OPRM1CHRNB2CHRNA4
SCHEMBL639774 0.76 ALDH1A1 (0.51) OPRL1OPRM1OPRK1CHRNB2CHRNA4
SCHEMBL30814823 0.76 ALDH1A1 (0.51) OPRL1OPRM1OPRK1CHRNB2CHRNA4

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 6 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
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.