SCHEMBL3408748

SCHEMBL3408748

CN(C)C1(c2cccnc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.57
OPRL1 P41146 5/20 0.57
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.51
POLB P06746 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
TRPV6 Q9H1D0 1/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2834966 0.86 OPRL1 (0.61) OPRM1OPRL1ALDH1A1POLBOPRK1
SCHEMBL3406087 0.85 CYP3A4 (0.52) OPRM1OPRL1ALDH1A1CHRM2POLB
SCHEMBL3410504 0.84 CHRM2 (0.50) OPRM1OPRL1ALDH1A1LMNACHRM2
SCHEMBL639574 0.81 OPRL1 (0.73) OPRM1OPRL1ALDH1A1LMNACHRM2
SCHEMBL17444251 0.81 OPRM1 (0.60) OPRM1OPRL1CHRM2CHRNB2CHRNA4
SCHEMBL3409814 0.81 ALDH1A1 (0.51) OPRM1OPRL1ALDH1A1LMNACHRM2
SCHEMBL702465 0.79 ALDH1A1 (0.57) OPRM1OPRL1ALDH1A1LMNACHRM2
SCHEMBL3406814 0.78 OPRM1 (0.75) OPRM1OPRL1ALDH1A1LMNACHRM2
SCHEMBL6422989 0.78 CHRM2 (0.59) OPRM1OPRL1ALDH1A1LMNACHRM2
SCHEMBL698466 0.78 ALDH1A1 (0.54) OPRM1OPRL1ALDH1A1LMNACHRM2

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 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.