SCHEMBL1663914

SCHEMBL1663914

CC(C)c1nc2cc(O)ccc2c(=O)n1CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
KCNH2 Q12809 4/20 0.41
HRH3 Q9Y5N1 4/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 3/20 0.37
AKR1B1 P15121 1/20 0.36

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
SCHEMBL1663421 0.80 TRPV1 (0.54) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1664148 0.80 TRPV1 (0.54) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663935 0.80 TRPV1 (0.49) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663306 0.80 TRPV1 (0.51) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663609 0.77 TRPV1 (0.51) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663625 0.76 TRPV1 (0.50) TRPV1KCNH2ESR1ESR2HDAC1
SCHEMBL1663283 0.76 TRPV1 (0.50) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663587 0.75 TRPV1 (0.47) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1664240 0.74 TRPV1 (0.48) TRPV1KCNH2HRH3ESR1ESR2
SCHEMBL1663509 0.74 TRPV1 (0.48) TRPV1ESR1ESR2HDAC1HDAC6

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 1/4885KCNH2 102/4885HRH3 62/4885

“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.