SCHEMBL846737

SCHEMBL846737

O=C(C=Cc1ccc(NCC2CCCCC2)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NAMPT P43490 2/20 0.47
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL847005 0.83 TRPV1 (0.72) TRPV1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL846060 0.83 TRPV1 (0.72) TRPV1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL847493 0.82 TRPV1 (0.70) TRPV1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL847392 0.81 TRPV1 (0.53) TRPV1KDM4EMAPTLMNARAB9A
SCHEMBL846736 0.81 TRPV1 (0.71) TRPV1KDM4EALDH1A1MAPTLMNA
SCHEMBL847203 0.81 TRPV1 (0.71) TRPV1KDM4EALDH1A1MAPTLMNA
SCHEMBL13991500 0.80 KDR (0.60) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL16101601 0.80 KDR (0.60) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL846356 0.80 MEN1 (0.54) TRPV1KDM4EALDH1A1MAPTRAB9A
SCHEMBL846144 0.78 MAPT (0.62) TRPV1KDM4EALDH1A1MAPTLMNA

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 TRPV1 1/4885KDM4E 3604/4885ALDH1A1 1216/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPV1 1/4885KDM4E 3604/4885ALDH1A1 1216/4885

“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.