SCHEMBL846493

SCHEMBL846493

O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TRPV1 Q8NER1 10/20 0.61
KDR P35968 3/20 0.60
MITF O75030 1/20 0.59
XBP1 P17861 1/20 0.59
PAX8 Q06710 1/20 0.59
KLF5 Q13887 1/20 0.59
ALDH1A1 P00352 1/20 0.57
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
RPS6KA3 P51812 2/20 0.52
RPS6KA2 Q15349 1/20 0.52

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
SCHEMBL846349 1.00 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL846151 1.00 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL846300 0.86 KDR (0.67) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL846074 0.86 KDR (0.67) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL846030 0.86 KDR (0.67) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL846379 0.86 KDR (0.67) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL845964 0.85 KDR (0.68) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL845880 0.85 TRPV1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL847060 0.85 TRPV1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL846496 0.83 TRPV1 (0.56) NPC1RAB9AKDM4ESMN1; SMN2TP53

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 13 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
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO 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 NPC1 1518/4885RAB9A 2453/4885KDM4E 3604/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 NPC1 1518/4885RAB9A 2453/4885KDM4E 3604/4885

“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.