SCHEMBL1663631

SCHEMBL1663631

CC(C)c1nc2cc(O)ccc2c(=O)n1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
ESR1 P03372 3/20 0.47
ESR2 Q92731 2/20 0.47
CASR P41180 1/20 0.42
AKR1B1 P15121 1/20 0.42
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
BACE1 P56817 1/20 0.34
SYK P43405 1/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TOP1 P11387 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
SCHEMBL1663329 0.84 TRPV1 (0.52) TRPV1ESR1ESR2AKR1B1HDAC1
SCHEMBL1663661 0.80 TRPV1 (0.44) TRPV1ESR1ESR2CASRAKR1B1
SCHEMBL13150844 0.78 ALDH1A1 (0.49) ALDH1A1TSHRCASP1CASP7KDM4E
SCHEMBL1664439 0.78 TRPV1 (0.74) TRPV1ESR1ESR2HSD17B10GAA
SCHEMBL1665294 0.78 TRPV1 (0.70) TRPV1ESR1ESR2AKR1B1HSD17B10
SCHEMBL1663421 0.78 TRPV1 (0.54) TRPV1ESR1ESR2AKR1B1HDAC1
SCHEMBL1664148 0.78 TRPV1 (0.54) TRPV1ESR1ESR2CASRAKR1B1
SCHEMBL1663398 0.77 TRPV1 (0.72) TRPV1ESR1ESR2HSD17B10GAA
SCHEMBL10446158 0.77 TRPV1 (0.72) TRPV1ESR1ESR2KDM4EMAPT
SCHEMBL1664011 0.77 TRPV1 (0.72) TRPV1ESR1ESR2AKR1B1HSD17B10

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 1/4885ESR1 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.