SCHEMBL845872

SCHEMBL845872

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.71
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
KDM4E B2RXH2 1/20 0.67
MITF O75030 1/20 0.67
XBP1 P17861 1/20 0.67
PAX8 Q06710 1/20 0.67
KLF5 Q13887 1/20 0.67
KDR P35968 3/20 0.65
ALDH1A1 P00352 1/20 0.61
NAMPT P43490 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
HDAC4 P56524 1/20 0.54

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
SCHEMBL240482 0.91 TRPV1 (0.61) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL860101 0.89 TRPV1 (0.58) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846578 0.84 TRPV1 (0.67) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846396 0.83 TRPV1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL6817067 0.83 NAMPT (0.61) NPC1RAB9AALDH1A1NAMPTSMN1; SMN2
SCHEMBL27894588 0.82 MAP4K4 (0.53) TRPV1NPC1RAB9AKDM4ENAMPT
SCHEMBL846874 0.82 NPC1 (0.78) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL19616647 0.81 NPC1 (0.76) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846216 0.80 NPC1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL995474 0.80 KDR (1.00) TRPV1NPC1RAB9AKDM4EMITF

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 10 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
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
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
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 TRPV1 1/4885NPC1 1518/4885RAB9A 2453/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPV1 1/4885NPC1 1518/4885RAB9A 2453/4885

“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.