SCHEMBL846736

SCHEMBL846736

CN(c1ccc(/C=C/C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.71
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MCHR1 Q99705 1/20 0.50
KDM4E B2RXH2 5/20 0.49
NAMPT P43490 2/20 0.47
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
KDR P35968 1/20 0.42

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
SCHEMBL847203 1.00 TRPV1 (0.71) TRPV1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL846061 0.83 TRPV1 (1.00) TRPV1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL847137 0.83 TRPV1 (1.00) TRPV1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL847641 0.82 TRPV1 (0.98) TRPV1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL846737 0.81 TRPV1 (0.50) TRPV1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL847391 0.80 TRPV1 (0.73) TRPV1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13991503 0.80 RAB9A (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL16101601 0.80 KDR (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL13991500 0.80 KDR (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL846355 0.79 TRPV1 (0.71) TRPV1RAB9ASMN1; SMN2NPC1ALDH1A1

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 16 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
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
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 1/4885RAB9A 2453/4885SMN1; SMN2 4426/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPV1 1/4885RAB9A 2453/4885SMN1; SMN2 4426/4885

“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.