SCHEMBL846653

SCHEMBL846653

O=C(/C=C/c1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
USP30 Q70CQ3 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MCHR1 Q99705 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL846654 1.00 KDM4E (0.46) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL845795 0.84 HCAR2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL845796 0.84 HCAR2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL845800 0.83 TRPV1 (0.59) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL846445 0.81 KDM4E (0.48) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL845811 0.79 MEN1 (0.49) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL846808 0.79 KDM4E (0.45) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL846809 0.79 KDM4E (0.45) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL846144 0.76 MAPT (0.62) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL846143 0.76 MAPT (0.62) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10

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
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
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-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-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-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 KDM4E 3604/4885SMN1; SMN2 4426/4885RAB9A 2453/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KDM4E 3604/4885SMN1; SMN2 4426/4885RAB9A 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.