SCHEMBL1663513

SCHEMBL1663513

CCN(CC)c1nc2cc(OC)ccc2c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.48
TRPV1 Q8NER1 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TRPV4 Q9HBA0 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CLK1 P49759 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
CYP19A1 P11511 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL1663635 0.86 PDE10A (0.52) PDE10AHRH3KCNH2ALDH1A1TRPV4
SCHEMBL1663818 0.86 TRPV1 (0.64) PDE10ATRPV1ALDH1A1MAPK1MEN1
SCHEMBL1663008 0.71 ESR1 (0.53) PDE10ATRPV1ALDH1A1KDM4EMAPK1
SCHEMBL31318464 0.71 ALDH1A1 (0.54) TRPV1ALDH1A1TRPV4KDM4EMAPK1
SCHEMBL1662139 0.70 CA12 (0.52) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1663473 0.69 LMNA (0.63) PDE10AHRH3KCNH2ALDH1A1TSHR
SCHEMBL1663688 0.68 SMN1; SMN2 (0.54) PDE10AHRH3KCNH2ALDH1A1TRPV4
SCHEMBL8408982 0.67 ALDH1A1 (0.61) PDE10AHRH3KCNH2ALDH1A1MEN1
SCHEMBL23084572 0.67 TRPV1 (0.48) PDE10ATRPV1HRH3KCNH2ALDH1A1
SCHEMBL31318458 0.67 KDM1A (0.49) HRH3KCNH2ALDH1A1TRPV4CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 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 (1 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 PDE10A 1942/4885TRPV1 1/4885HRH3 62/4885

“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.