SCHEMBL620565

SCHEMBL620565

O=C(Nc1cccc2ccncc12)NC1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.65
CYP3A4 P08684 4/20 0.53
CDK5 Q00535 2/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CYP2D6 P10635 1/20 0.48
NTRK1 P04629 1/20 0.46
CDK1 P06493 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL15446074 0.93 TRPV1 (0.76) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL616146 0.93 TRPV1 (0.76) TRPV1CYP3A4CDK5CCNE1CDK2
Hydrochloric Acid SCHEMBL3765639 0.92 TRPV1 (0.75) TRPV1CYP3A4CDK5CCNE1CDK2
Sulfuric Acid SCHEMBL3765635 0.89 TRPV1 (0.71) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL3758650 0.89 TRPV1 (0.51) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL619117 0.85 TRPV1 (0.56) TRPV1CYP3A4CYP2D6NTRK1
SCHEMBL620089 0.85 TRPV1 (0.74) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL13057441 0.83 TRPV1 (0.60) TRPV1CYP3A4CYP2D6NTRK1KDM4E
SCHEMBL618146 0.83 TRPV1 (0.73) TRPV1CYP3A4CYP2D6
SCHEMBL619727 0.83 TRPV1 (0.64) TRPV1CYP3A4CDK5CCNE1CDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP claimed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US claimed
EP-1931681-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Glenmark Pharmaceuticals S.A. (CH) 2008-06-18 EP claimed
WO-2007042906-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2007-04-19 WO claimed
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 TRPV1 1/4885CYP3A4 724/4885CDK5 2489/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885CYP3A4 712/4885CDK5 2432/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885CYP3A4 712/4885CDK5 2432/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885CYP3A4 724/4885CDK5 2489/4885

“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.