SCHEMBL1663876

SCHEMBL1663876

CC(C)c1nc2c(CO)c(O)ccc2c(=O)n1-c1ccc(C#N)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
USP14 P54578 2/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PIK3CB P42338 6/20 0.35
PIK3CD O00329 5/20 0.35
KDM5B Q9UGL1 1/20 0.34
CTSB P07858 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PIK3CG P48736 2/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
SYK P43405 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
APLNR P35414 1/20 0.31
CXCR3 P49682 1/20 0.30

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
SCHEMBL1663348 0.85 TRPV1 (0.60) TRPV1USP14ESR1ESR2KCNH2
SCHEMBL27727685 0.83 TRPV1 (0.41) TRPV1USP14ESR1ESR2PIK3CB
SCHEMBL1665975 0.83 TRPV1 (0.41) TRPV1USP14ESR1ESR2PIK3CB
SCHEMBL1663009 0.83 TRPV1 (0.41) TRPV1USP14ESR1ESR2PIK3CB
SCHEMBL27727677 0.82 TRPV1 (0.41) TRPV1USP14ESR1ESR2PIK3CB
SCHEMBL5071512 0.82 TRPV1 (0.42) TRPV1USP14ESR1ESR2PIK3CB
SCHEMBL1664438 0.81 RAB9A (0.43) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1664062 0.80 ESR1 (0.42) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL11931962 0.79 TRPV1 (0.47) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL27727667 0.79 TRPV1 (0.39) TRPV1USP14ESR1ESR2PIK3CB

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 5 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
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN 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

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 1/4885USP14 3406/4885ESR1 1321/4885

“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.