SCHEMBL3408512

SCHEMBL3408512

NC1(c2ccncc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.54
TSHR P16473 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C19 P33261 3/20 0.54
OPRL1 P41146 2/20 0.53
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
TP53 P04637 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.49
OPRM1 P35372 1/20 0.49
CCR3 P51677 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 2/20 0.47
DRD2 P14416 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
SCHEMBL2476831 0.89 OPRL1 (0.65) CYP3A4TSHRCYP2D6CYP2C19OPRL1
Hydrochloric Acid SCHEMBL6543403 0.87 POLB (0.66) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL16113263 0.82 OPRL1 (0.53) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL31223134 0.82 OPRL1 (0.53) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL19330837 0.80 OPRL1 (0.57) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL3406087 0.79 CYP3A4 (0.52) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL3406327 0.79 CYP3A4 (0.58) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL3406514 0.78 OPRM1 (0.81) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL3407224 0.78 CYP3A4 (0.51) CYP3A4TSHRCYP2D6CYP2C19OPRL1
SCHEMBL31567275 0.78 OPRL1 (0.51) CYP3A4TSHRCYP2D6CYP2C19OPRL1

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

“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.