SCHEMBL3758877

SCHEMBL3758877

S=C(Nc1cccc2cnccc12)NC1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.60
ALDH1A1 P00352 11/20 0.51
MAPT P10636 11/20 0.51
KDM4E B2RXH2 9/20 0.51
CYP3A4 P08684 4/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
NSD2 O96028 1/20 0.46
HTT P42858 4/20 0.45
MEN1 O00255 3/20 0.45
BLM P54132 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL3758650 0.93 TRPV1 (0.51) TRPV1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL15446074 0.89 TRPV1 (0.76) TRPV1CYP3A4CYP2D6
SCHEMBL616146 0.89 TRPV1 (0.76) TRPV1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3765639 0.88 TRPV1 (0.75) TRPV1CYP3A4CYP2D6
SCHEMBL4575416 0.87 TRPV1 (0.79) TRPV1ALDH1A1MAPTKDM4ECYP3A4
Sulfuric Acid SCHEMBL3765635 0.85 TRPV1 (0.71) TRPV1CYP3A4CYP2D6
SCHEMBL619619 0.83 TRPV1 (0.51) TRPV1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL620089 0.81 TRPV1 (0.74) TRPV1CYP3A4CYP2D6
SCHEMBL620565 0.81 TRPV1 (0.65) TRPV1ALDH1A1KDM4ECYP3A4SMN1; SMN2
SCHEMBL618146 0.79 TRPV1 (0.73) TRPV1CYP3A4KMT2ACYP2D6

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 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-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-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 (2 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 1/4885ALDH1A1 665/4885MAPT 3909/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885ALDH1A1 665/4885MAPT 3909/4885

“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.