SCHEMBL846050

SCHEMBL846050

O=C(/C=C\c1cccc(C(F)(F)F)c1)Nc1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
HSP90AA1 P07900 1/20 0.65
PKM P14618 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.60
MAOB P27338 1/20 0.60
HTT P42858 1/20 0.60
THRB P10828 1/20 0.60
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
KDM4E B2RXH2 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
TRPV1 Q8NER1 1/20 0.53
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
NAMPT P43490 2/20 0.52

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
SCHEMBL846051 1.00 MEN1 (0.65) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL846432 0.89 MAOB (0.59) LMNAMAPTMAOBCA12CA9
SCHEMBL846433 0.89 MAOB (0.59) LMNAMAPTMAOBCA12CA9
SCHEMBL17664336 0.85 TRPV1 (0.52) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL13991500 0.85 KDR (0.60) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL16101601 0.85 KDR (0.60) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL846400 0.82 NAMPT (0.51) LMNAMAPTL3MBTL1KDM4ETRPV1
SCHEMBL846401 0.82 NAMPT (0.51) LMNAMAPTL3MBTL1KDM4ETRPV1
SCHEMBL846062 0.80 TRPV1 (0.67) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL846063 0.80 TRPV1 (0.67) MEN1KMT2ALMNAMAPTKDM4E

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 13 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
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 MEN1 4610/4885KMT2A 2415/4885LMNA 4359/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885LMNA 4359/4885

“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.