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SCHEMBL1663854

SCHEMBL1663854

CCC(O)c1c(O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.57
▸ CXCR3 P49682 10/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ ALDH1A2 O94788 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ USP14 P54578 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ELANE P08246 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
SCHEMBL11931960 0.90 TRPV1 (0.44) TRPV1CXCR3ESR1ESR2ALDH1A2
SCHEMBL10445920 0.89 TRPV1 (0.61) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL5071537 0.88 TRPV1 (0.59) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL15957764 0.87 RAB9A (0.41) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL10446192 0.86 KDM4E (0.40) TRPV1ESR1ESR2PDE10AKCNH2
SCHEMBL10446190 0.84 TRPV1 (0.60) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL10446186 0.83 TRPV1 (0.64) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL1663673 0.82 TRPV1 (0.58) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL1663348 0.82 TRPV1 (0.60) TRPV1CXCR3ESR1ESR2PDE10A
SCHEMBL1663494 0.82 TRPV1 (0.62) TRPV1CXCR3ESR1ESR2PDE10A

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 32 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-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS CHEN WEICHUN (US) 2013-03-07 — — US disclosed
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS CHEN WEICHUN (US) 2013-03-07 — — US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 — — US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 — — US disclosed
WO-2010084050-A2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-07-29 — — WO disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US 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
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
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 57/4885CXCR3 384/4885ESR1 2832/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A TRPV1 1/4885CXCR3 1110/4885ESR1 2643/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 TRPV1 1/4885CXCR3 312/4885ESR1 1321/4885
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, KCNJ2, TRPV3 TRPV1 1/4885CXCR3 1666/4885ESR1 3801/4885

“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.