SCHEMBL844149

SCHEMBL844149

CCOC(=O)c1c(C)cc(C(=O)OC)c(C(=O)OC)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA1 P30542 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE3A Q14432 1/20 0.44
ACHE P22303 1/20 0.44
USP2 O75604 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL844688 0.91 CYP3A4 (0.47) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL11299031 0.84 ALDH1A1 (0.49) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL7379340 0.83 CYP3A4 (0.51) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL844171 0.83 ALDH1A1 (0.50) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL6679640 0.79 CYP3A4 (0.50) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL2531336 0.77 CYP3A4 (0.53) CYP3A4HPGDTDP1ALDH1A1KMT2A
SCHEMBL4208696 0.77 CYP3A4 (0.51) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL11355720 0.76 CYP3A4 (0.47) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL29078846 0.75 CYP3A4 (0.58) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL26126976 0.75 TSHR (0.50) CYP3A4HPGDTDP1ALDH1A1KMT2A

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 7 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 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-20070265285-A1 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2007-11-15 US 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 (2 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 CYP3A4 91/4885HPGD 910/4885SMN1; SMN2 3618/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CYP3A4 71/4885HPGD 921/4885SMN1; SMN2 3679/4885

“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.