SCHEMBL619660

SCHEMBL619660

NC1CC2(CCC2)Oc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
IDO1 P14902 6/20 0.35
KDM1B Q8NB78 1/20 0.34
BACE1 P56817 3/20 0.33
HTR2B P41595 3/20 0.32
APP P05067 1/20 0.32
AHR P35869 1/20 0.32
OPRD1 P41143 1/20 0.31
LMNA P02545 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL13499161 0.97 KDM1A (0.36) KDM1AIDO1KDM1BBACE1HTR2B
SCHEMBL3323591 0.82 TRPV1 (0.43) KDM1AKDM1B
SCHEMBL618100 0.82 TRPV1 (0.43) KDM1AKDM1B
SCHEMBL18200245 0.82 IDO1 (0.37) IDO1HTR2BLMNA
SCHEMBL619899 0.82 KDM4E (0.41) LMNA
SCHEMBL3322340 0.82 TRPV1 (0.43) KDM1AKDM1B
SCHEMBL3804677 0.82 TRPV3 (0.38) KDM1AHTR2BAHROPRD1LMNA
SCHEMBL619444 0.82 HDAC3 (0.39) IDO1LMNA
SCHEMBL3794807 0.82 TRPV3 (0.38) KDM1AHTR2BAHROPRD1LMNA
SCHEMBL618002 0.82 TRPV3 (0.38) KDM1AHTR2BAHROPRD1LMNA

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 8 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 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
EP-1931681-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Glenmark Pharmaceuticals S.A. (CH) 2008-06-18 EP disclosed
WO-2007042906-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2007-04-19 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 (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 KDM1A 3486/4885IDO1 3716/4885KDM1B 3087/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM1A 3391/4885IDO1 3741/4885KDM1B 3041/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM1A 3391/4885IDO1 3741/4885KDM1B 3041/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM1A 3486/4885IDO1 3716/4885KDM1B 3087/4885

“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.