SCHEMBL844509

SCHEMBL844509

CNS(=O)(=O)c1ccccc1-n1c(C)nc2cc(C)c(C(=O)OCC3CCC3)c(C)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
TSHR P16473 2/20 0.34
ALDH1A1 P00352 5/20 0.32
HTT P42858 1/20 0.32
HPD P32754 2/20 0.32
HTR7 P34969 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PDE1C Q14123 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
CASP1 P29466 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL844904 0.88 CNR1 (0.72) CNR1CNR2TSHRALDH1A1HPD
SCHEMBL844506 0.82 CNR1 (0.56) CNR1CNR2TSHRALDH1A1HPD
SCHEMBL844571 0.79 CNR1 (0.79) CNR1CNR2TSHRALDH1A1HTT
SCHEMBL844232 0.76 CNR1 (0.69) CNR1CNR2MAPT
SCHEMBL844174 0.76 CNR1 (0.87) CNR1CNR2TSHRALDH1A1PDE1C
SCHEMBL844516 0.76 CNR1 (0.75) CNR1CNR2TSHRALDH1A1HTT
Hydrochloric Acid SCHEMBL844735 0.75 CNR1 (0.86) CNR1CNR2TSHRALDH1A1PDE1C
SCHEMBL6681525 0.75 CNR1 (0.65) CNR1CNR2TSHRALDH1A1PDE1C
SCHEMBL17692331 0.74 CNR1 (0.90) CNR1CNR2TSHRALDH1A1L3MBTL1
SCHEMBL844485 0.74 CNR1 (0.75) CNR1CNR2TSHRALDH1A1PDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 8/4885TSHR 795/4885
US-20080004296-A1 Organic Compounds OTC, OAT, CHRM1 CNR1 595/4885CNR2 1208/4885TSHR 448/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CNR1 1/4885CNR2 8/4885TSHR 801/4885

“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.