SCHEMBL3406087

SCHEMBL3406087

CN(C)C1(c2ccncc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 3/20 0.52
TSHR P16473 3/20 0.52
CYP2C19 P33261 2/20 0.52
OPRL1 P41146 6/20 0.52
OPRM1 P35372 5/20 0.52
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 3/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HPGD P15428 1/20 0.47
CHRM2 P08172 1/20 0.46
OPRK1 P41145 1/20 0.46
CCR3 P51677 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 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 0.90 OPRL1 (0.61) CYP3A4CYP2D6TSHRCYP2C19OPRL1
SCHEMBL3412279 0.87 CYP3A4 (0.55) CYP3A4CYP2D6TSHRCYP2C19OPRL1
SCHEMBL3408748 0.85 OPRM1 (0.57) CYP3A4OPRL1OPRM1POLBHSD17B10
SCHEMBL3408699 0.83 CYP3A4 (0.51) CYP3A4CYP2D6TSHRCYP2C19OPRL1
SCHEMBL31223061 0.83 OPRM1 (0.56) CYP3A4CYP2D6CYP2C19OPRL1OPRM1
SCHEMBL17444188 0.82 OPRM1 (0.57) CYP3A4CYP2D6TSHRCYP2C19OPRL1
SCHEMBL31567036 0.81 OPRL1 (0.54) CYP3A4CYP2D6TSHROPRL1OPRM1
SCHEMBL3410724 0.81 CYP3A4 (0.51) CYP3A4CYP2D6TSHRCYP2C19CYP2C9
SCHEMBL22112427 0.80 OPRL1 (0.54) OPRL1OPRM1POLBSIGMAR1OPRK1
SCHEMBL3408512 0.79 CYP3A4 (0.54) CYP3A4CYP2D6TSHRCYP2C19OPRL1

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 CYP3A4 84/4885CYP2D6 48/4885TSHR 3282/4885

“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.