SCHEMBL846812

SCHEMBL846812

CC1CC(C)CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
KDM4E B2RXH2 1/20 0.63
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
PAX8 Q06710 1/20 0.63
KLF5 Q13887 1/20 0.63
KDR P35968 3/20 0.61
TRPV1 Q8NER1 13/20 0.60
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL846462 0.88 NPC1 (0.61) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL846020 0.88 TRPV1 (0.58) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL846149 0.85 TRPV1 (0.60) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL846600 0.85 TRPV1 (0.65) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL845964 0.83 KDR (0.68) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL846403 0.83 KDR (0.72) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL6389234 0.83 KDR (0.55) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL848116 0.83 NPC1 (0.65) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL846074 0.82 KDR (0.67) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL846300 0.82 KDR (0.67) NPC1RAB9AKDM4EMITFXBP1

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 9 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
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 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 (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.