SCHEMBL1663990

SCHEMBL1663990

CC(C)c1nc2cc(O)ccc2c(=O)n1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
CCR9 P51686 7/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
METAP2 P50579 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL1663625 0.85 TRPV1 (0.50) TRPV1KDM4EHDAC1HDAC6MEN1
SCHEMBL1666082 0.80 TRPV1 (0.47) TRPV1KDM4EHDAC1HDAC6ESR1
SCHEMBL1663833 0.79 TRPV1 (0.47) TRPV1KDM4EHDAC1HDAC6MEN1
SCHEMBL1663885 0.78 ALOX5AP (0.52) TRPV1HDAC1HDAC6MEN1KMT2A
SCHEMBL1663421 0.77 TRPV1 (0.54) TRPV1HDAC1HDAC6ESR1ESR2
SCHEMBL1664148 0.77 TRPV1 (0.54) TRPV1HDAC1HDAC6MEN1KMT2A
SCHEMBL1663099 0.76 TRPV1 (0.47) TRPV1KDM4EHDAC1HDAC6MEN1
SCHEMBL1663587 0.75 TRPV1 (0.47) TRPV1HDAC1HDAC6MEN1KMT2A
SCHEMBL1663306 0.74 TRPV1 (0.51) TRPV1HDAC1HDAC6ESR1ESR2
SCHEMBL1663609 0.74 TRPV1 (0.51) TRPV1KDM4EHDAC1HDAC6ESR1

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 1/4885CCR9 1593/4885KDM4E 2742/4885

“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.