SCHEMBL1663421

SCHEMBL1663421

CCCn1c(C(C)C)nc2cc(O)ccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PDE5A O76074 3/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 2/20 0.43
ADORA2B P29275 3/20 0.43
ADORA2A P29274 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
AKR1B1 P15121 1/20 0.39
GFER P55789 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1664148 0.90 TRPV1 (0.54) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663609 0.86 TRPV1 (0.51) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663283 0.85 TRPV1 (0.50) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1664240 0.83 TRPV1 (0.48) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663306 0.81 TRPV1 (0.51) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663405 0.81 TRPV1 (0.46) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663625 0.80 TRPV1 (0.50) TRPV1HDAC1HDAC6ESR1ESR2
SCHEMBL1663914 0.80 TRPV1 (0.50) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663935 0.79 TRPV1 (0.49) TRPV1HDAC1HDAC6PDE5AESR1
SCHEMBL1663509 0.78 TRPV1 (0.48) TRPV1HDAC1HDAC6PDE5AESR1

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 4 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
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 1/4885HDAC1 999/4885HDAC6 493/4885

“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.