SCHEMBL3406280

SCHEMBL3406280

CN(C(=O)OC(C)(C)C)C1(c2ccncc2)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.35
OPRL1 P41146 5/20 0.35
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 1/20 0.34
BUB1 O43683 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
MKNK2 Q9HBH9 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
GBA1 P04062 1/20 0.30
CYP2D6 P10635 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL23778511 0.91 OPRM1 (0.42) OPRM1OPRL1CYP17A1CYP19A1BUB1
SCHEMBL3412314 0.81 OPRM1 (0.43) OPRM1OPRL1CYP19A1CYP2D6
SCHEMBL20904051 0.76 OPRM1 (0.59) OPRM1OPRL1
SCHEMBL3410724 0.76 CYP3A4 (0.51) CYP2D6
SCHEMBL3406160 0.75 OPRL1 (0.45) OPRM1OPRL1CYP2D6
SCHEMBL23778489 0.75 OPRM1 (0.41) OPRM1OPRL1CYP17A1CYP19A1GPR119
SCHEMBL12856133 0.74 FPR3 (0.44) OPRM1OPRL1FPR3FPR2
SCHEMBL5643934 0.74 OPRM1 (0.42) OPRM1OPRL1FPR3FPR2
SCHEMBL31421209 0.74 GPR119 (0.40) OPRM1OPRL1GPR119
SCHEMBL16995229 0.73 OPRM1 (0.38) OPRM1OPRL1GPR119FPR3FPR2

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 OPRM1 2798/4885OPRL1 2189/4885CYP17A1 1013/4885

“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.