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SCHEMBL10445926

SCHEMBL10445926

CCCc1c(O)ccc2c(=O)n(-c3ccc(Cl)cc3)c(C(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CASR P41180 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTDSP1 Q9GZU7 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
SCHEMBL10446287 0.91 ESR1 (0.42) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL15957757 0.90 RAB9A (0.42) ESR1ESR2TRPV1KDM4ECYP1A2
SCHEMBL1664062 0.89 ESR1 (0.42) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL10446193 0.88 TRPV1 (0.38) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL1663673 0.86 TRPV1 (0.58) ESR1ESR2TRPV1KDM4ECYP1A2
SCHEMBL10446286 0.84 ESR1 (0.44) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL10446162 0.83 ESR1 (0.45) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL14396195 0.82 ESR1 (0.44) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL1663871 0.81 ESR1 (0.44) ESR1ESR2TRPV1HTR6KDM4E
SCHEMBL10446189 0.81 ESR1 (0.40) ESR1ESR2TRPV1HTR6KDM4E

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 25 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
US-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2011-08-11 — — US disclosed
EP-1755606-B2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2011-06-29 — — EP 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
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 — — US disclosed
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 — — US disclosed
WO-2010084050-A2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-07-29 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ESR1 2832/4885ESR2 2694/4885TRPV1 57/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A ESR1 2643/4885ESR2 3042/4885TRPV1 1/4885
US-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 ESR1 2881/4885ESR2 3386/4885TRPV1 1/4885
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists KCNA4, KCNA3, KCNB1 ESR1 2220/4885ESR2 2917/4885TRPV1 15/4885
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, KCNJ2, TRPV3 ESR1 3801/4885ESR2 3664/4885TRPV1 1/4885

“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.