SCHEMBL844333

SCHEMBL844333

CCCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.90
CNR2 P34972 1/20 0.90
ADORA3 P0DMS8 2/20 0.31
PIK3CD O00329 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PKMYT1 Q99640 1/20 0.30

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
Sad448 SCHEMBL844484 0.95 CNR1 (1.00) CNR1CNR2PIK3CDPKMYT1
SCHEMBL17692331 0.91 CNR1 (0.90) CNR1CNR2PIK3CD
SCHEMBL17692388 0.90 CNR1 (0.86) CNR1CNR2PIK3CDPKMYT1
SCHEMBL844370 0.89 CNR1 (0.75) CNR1CNR2
SCHEMBL844174 0.88 CNR1 (0.87) CNR1CNR2PIK3CDESR1ESR2
Hydrochloric Acid SCHEMBL844735 0.88 CNR1 (0.86) CNR1CNR2PIK3CDESR1ESR2
SCHEMBL18673206 0.88 CNR1 (0.78) CNR1CNR2PIK3CD
SCHEMBL17692387 0.87 CNR1 (0.77) CNR1CNR2PIK3CD
SCHEMBL844334 0.86 CNR1 (0.68) CNR1CNR2ADORA3ESR1ESR2
SCHEMBL845014 0.85 CNR1 (0.80) CNR1CNR2PIK3CDPKMYT1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552015-B2 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2013-10-08 US claimed
EP-1472234-B1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2012-03-28 EP claimed
US-20080004296-A1 Organic Compounds CHARMAN CHRISTINE 2008-01-03 US claimed
WO-2005123694-A2 QUINAZOLINONE COMPOUNDS FOR THE TREATMENT OF COUGH NOVARTIS AG (CH) 2005-12-29 WO claimed
US-8552015-B2 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-1472234-B1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2319839-A1 Quinazolinone derivatives and their use as CB agonists Novartis AG (CH) 2011-05-11 EP disclosed
US-20080004296-A1 Organic Compounds CHARMAN CHRISTINE 2008-01-03 US disclosed
US-20070265285-A1 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2007-11-15 US disclosed
WO-2005123694-A2 QUINAZOLINONE COMPOUNDS FOR THE TREATMENT OF COUGH NOVARTIS AG (CH) 2005-12-29 WO disclosed
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists BRAIN CHRISTOPHER T (GB) 2005-04-21 US disclosed
EP-1472234-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS Novartis AG (CH) 2004-11-03 EP disclosed
WO-2003066603-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2003-08-14 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 (3 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-20070265285-A1 Quinazolinone derivatives and their use as CB agonists CNR1, ADRB1, ADRA1D CNR1 1/4885CNR2 8/4885ADORA3 84/4885
US-20080004296-A1 Organic Compounds OTC, OAT, CHRM1 CNR1 595/4885CNR2 1208/4885ADORA3 167/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CNR1 1/4885CNR2 8/4885ADORA3 74/4885

“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.