SCHEMBL844688

SCHEMBL844688

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 2/20 0.41
ACHE P22303 1/20 0.41
USP2 O75604 2/20 0.41

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
SCHEMBL7379340 0.94 CYP3A4 (0.51) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL844149 0.91 CYP3A4 (0.49) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL6679640 0.89 CYP3A4 (0.50) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL15750582 0.82 CYP3A4 (0.44) CYP3A4HPGDTDP1ALDH1A1MAPT
SCHEMBL28756311 0.81 CYP3A4 (0.51) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL11355720 0.80 CYP3A4 (0.47) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL11378236 0.80 CYP3A4 (0.47) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL844171 0.80 ALDH1A1 (0.50) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL11299031 0.79 ALDH1A1 (0.49) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL11382105 0.78 ALDH1A1 (0.45) CYP3A4HPGDSMN1; SMN2TDP1ALDH1A1

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 9 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
CN-100579968-C Quinazolinone derivatives and their use as CB agonists NOVARTIS AG 2010-01-13 CN disclosed
US-20070265285-A1 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2007-11-15 US disclosed
CN-1628104-A Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2005-06-15 CN 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.