SCHEMBL1662486

SCHEMBL1662486

CC(C)c1nc2c(C=O)c(O)ccc2c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.60
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CXCR3 P49682 11/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
PDE10A Q9Y233 1/20 0.36
USP14 P54578 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TDP2 O95551 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL1663541 0.86 RAB9A (0.43) TRPV1ESR1ESR2
SCHEMBL10446186 0.85 TRPV1 (0.64) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL1663998 0.85 ESR1 (0.42) TRPV1ESR1ESR2PDE10AKCNH2
SCHEMBL1663494 0.84 TRPV1 (0.62) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL10445920 0.83 TRPV1 (0.61) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL10446401 0.83 TRPV1 (0.60) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL1663064 0.83 TRPV1 (0.60) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL10446190 0.83 TRPV1 (0.60) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL1663348 0.83 TRPV1 (0.60) TRPV1ESR1ESR2CXCR3ALDH1A2
SCHEMBL1665823 0.82 TRPV1 (0.59) TRPV1ESR1ESR2CXCR3ALDH1A2

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 TRPV1 1/4885ESR1 1321/4885ESR2 2159/4885

“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.