SCHEMBL1663935

SCHEMBL1663935

CC(C)c1nc2cc(O)ccc2c(=O)n1CC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
CYP2D6 P10635 4/20 0.48
CNR2 P34972 2/20 0.47
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ABCC1 P33527 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1663306 0.95 TRPV1 (0.51) TRPV1CYP2D6CNR2ALDH1A1NPSR1
SCHEMBL1663914 0.80 TRPV1 (0.50) TRPV1CYP2D6ALDH1A1ESR1ESR2
SCHEMBL1663421 0.79 TRPV1 (0.54) TRPV1ALDH1A1NPSR1ESR1ESR2
SCHEMBL1664148 0.79 TRPV1 (0.54) TRPV1ALDH1A1NPSR1ESR1ESR2
SCHEMBL5794692 0.78 CYP2D6 (0.57) CYP2D6CNR2ALDH1A1NPSR1PLA2G1B
SCHEMBL5794688 0.78 CYP2D6 (0.57) CYP2D6CNR2ALDH1A1NPSR1PLA2G1B
SCHEMBL1664215 0.77 TRPV1 (0.55) TRPV1ALDH1A1NPSR1PLA2G1BATG4B
SCHEMBL1666090 0.76 TRPV1 (0.54) TRPV1ALDH1A1NPSR1PLA2G1BATG4B
SCHEMBL1663609 0.76 TRPV1 (0.51) TRPV1ALDH1A1NPSR1ESR1ESR2
SCHEMBL1663283 0.75 TRPV1 (0.50) TRPV1NPSR1ESR1ESR2HDAC1

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 1/4885CYP2D6 916/4885CNR2 27/4885

“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.