SCHEMBL3786856

SCHEMBL3786856

CC(=O)NC(C)C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
ERN1 O75460 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
PKM P14618 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MAPK14 Q16539 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
SCHEMBL3790052 0.91 MALT1 (0.41) TRPV1ERN1ADORA3ADORA2AADORA2B
SCHEMBL13228824 0.91 MALT1 (0.41) TRPV1ERN1ADORA3ADORA2AADORA2B
SCHEMBL3788684 0.91 MALT1 (0.35) TRPV1ERN1ADORA3ADORA2AADORA2B
SCHEMBL13228773 0.90 CNR2 (0.35) TRPV1ERN1ALDH1A1NTRK1CYP3A4
SCHEMBL3792587 0.90 TRPV1 (0.33) TRPV1ERN1ADORA3ADORA2AADORA2B
SCHEMBL3795165 0.86 TRPV1 (0.36) TRPV1ERN1RXFP1PKMALDH1A1
SCHEMBL3787667 0.86 CTSS (0.41) ALDH1A1CYP3A4
SCHEMBL3792754 0.86 FNTA (0.37) TRPV1ERN1USP2ALDH1A1
SCHEMBL13228768 0.85 CIT (0.36) TRPV1ERN1CYP3A4AAK1
SCHEMBL3786805 0.84 ERN1 (0.35) TRPV1ERN1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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 (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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 TRPV1 1682/4885ERN1 237/4885ADORA3 1474/4885

“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.