SCHEMBL846547

SCHEMBL846547

O=C(Nc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.77
KDR P35968 3/20 0.75
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
ALDH1A1 P00352 2/20 0.74
KDM4E B2RXH2 2/20 0.72
MITF O75030 1/20 0.72
XBP1 P17861 1/20 0.72
PAX8 Q06710 1/20 0.72
KLF5 Q13887 1/20 0.72
HDAC4 P56524 1/20 0.70
CNR1 P21554 1/20 0.64
CNR2 P34972 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL846685 0.88 KDR (0.81) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL846396 0.87 TRPV1 (1.00) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL22803564 0.87 NPC1 (0.70) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL995474 0.86 KDR (1.00) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL19616459 0.85 KDR (0.81) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL29647749 0.85 KDR (0.81) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL847083 0.84 KDR (0.84) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL845978 0.84 KDR (0.79) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL846216 0.84 NPC1 (1.00) TRPV1KDRNPC1RAB9AALDH1A1
SCHEMBL5909673 0.83 KDR (0.65) TRPV1KDRNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885KDR 2423/4885NPC1 959/4885

“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.