SCHEMBL846145

SCHEMBL846145

O=C(Nc1cnc2ccccc2c1)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.72
HDAC6 Q9UBN7 2/20 0.71
TRPV1 Q8NER1 11/20 0.66
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
KDM4E B2RXH2 2/20 0.66
MITF O75030 1/20 0.66
XBP1 P17861 1/20 0.66
PAX8 Q06710 1/20 0.66
KLF5 Q13887 1/20 0.66
ALDH1A1 P00352 2/20 0.64
FLT1 P17948 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL845837 0.88 TRPV1 (0.70) KDRHDAC6TRPV1NPC1RAB9A
SCHEMBL995474 0.85 KDR (1.00) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL847105 0.83 TRPV1 (0.73) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL19616809 0.83 HDAC6 (1.00) KDRHDAC6TRPV1NPC1RAB9A
SCHEMBL845892 0.82 KDR (0.70) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL847083 0.82 KDR (0.84) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL9093698 0.82 HDAC6 (0.67) KDRHDAC6NPC1RAB9AKDM4E
SCHEMBL846316 0.81 TRPV1 (0.82) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL846874 0.81 NPC1 (0.78) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL12078573 0.81 KDR (0.65) KDRHDAC6TRPV1NPC1RAB9A

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
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
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-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 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-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KDR 704/4885HDAC6 2315/4885TRPV1 1/4885

“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.