SCHEMBL845816

SCHEMBL845816

O=C(Nc1cnc2ccccc2c1)c1ccc(NCC2CCCCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.56
TRPV1 Q8NER1 4/20 0.55
TMPRSS4 Q9NRS4 1/20 0.51
FLT1 P17948 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 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
SCHEMBL845644 0.85 TRPV1 (0.72) KDRTRPV1TMPRSS4NPC1RAB9A
SCHEMBL846060 0.85 TRPV1 (0.72) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL847005 0.85 TRPV1 (0.72) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL847493 0.84 TRPV1 (0.70) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL847627 0.83 TRPV1 (0.62) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL6384026 0.83 TRPV1 (0.54) KDRTRPV1
SCHEMBL846423 0.82 TRPV1 (0.75) KDRTRPV1TMPRSS4KDM4E
SCHEMBL846029 0.81 KDR (0.61) KDRTRPV1TMPRSS4NPC1RAB9A
SCHEMBL846825 0.80 KDR (0.60) KDRTRPV1TMPRSS4FLT1NPC1
SCHEMBL847392 0.79 TRPV1 (0.53) KDRTRPV1NPC1RAB9AKDM4E

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 11 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 claimed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
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
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 KDR 704/4885TRPV1 1/4885TMPRSS4 577/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KDR 704/4885TRPV1 1/4885TMPRSS4 577/4885

“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.