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SCHEMBL1663702

SCHEMBL1663702

CC(C)c1nc2cc(N)ccc2c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.77
▸ ESR1 P03372 2/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ CXCR3 P49682 3/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ PIK3CD O00329 5/20 0.39
▸ PIK3R1 P27986 5/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A2 O94788 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ USP14 P54578 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35

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
SCHEMBL1066896 0.87 TRPV1 (1.00) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL29383546 0.87 TRPV1 (1.00) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL10446275 0.85 TRPV1 (0.56) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL10446277 0.84 TRPV1 (0.55) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL1663858 0.84 TRPV1 (0.55) TRPV1ESR1ESR2KCNH2HRH3
Alcohol SCHEMBL26655335 0.83 TRPV1 (0.91) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL10446385 0.81 TRPV1 (0.52) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL11931942 0.77 TRPV1 (0.58) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL10446187 0.76 TRPV1 (0.56) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL10446300 0.76 TRPV1 (0.56) TRPV1ESR1ESR2CXCR3PDE10A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 — — US disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 — — US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 — — US disclosed
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 — — US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-7960399-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2011-06-14 — — US disclosed
US-7960399-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2011-06-14 — — US disclosed
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
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 — — US disclosed
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 — — US disclosed
EP-1755606-B1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-10-31 — — 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 (4 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-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CACNA1A, ALPI, CACNA1E TRPV1 57/4885ESR1 2832/4885ESR2 2694/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A TRPV1 1/4885ESR1 2643/4885ESR2 3042/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 TRPV1 1/4885ESR1 1321/4885ESR2 2159/4885
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 TRPV1 1/4885ESR1 2881/4885ESR2 3386/4885

“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.