SCHEMBL1663956

SCHEMBL1663956

Cc1cc(-n2c(C(C)C)nc3cc(O)ccc3c2=O)cnc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
ESR1 P03372 5/20 0.47
ESR2 Q92731 4/20 0.47
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.33
CXCR3 P49682 4/20 0.33
KMT2A Q03164 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL1663887 0.85 TRPV1 (0.58) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1663319 0.84 TRPV1 (0.60) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1663966 0.82 TRPV1 (0.67) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL10445948 0.81 TRPV1 (0.68) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1663738 0.81 TRPV1 (0.65) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL10446410 0.81 TRPV1 (0.67) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1666196 0.80 TRPV1 (0.63) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1663020 0.79 TRPV1 (0.59) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL1664439 0.78 TRPV1 (0.74) TRPV1ESR1ESR2KCNH2HRH3
SCHEMBL10446210 0.78 TRPV1 (0.64) TRPV1ESR1ESR2KCNH2HRH3

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.