SCHEMBL844257

SCHEMBL844257

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CISD2 Q8N5K1 1/20 0.38
ADORA1 P30542 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 1/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27474401 0.81 SMN1; SMN2 (0.44) HPGDSMN1; SMN2ALOX15ALDH1A1CISD2
SCHEMBL27248865 0.75 POLB (0.41) SMN1; SMN2ALDH1A1KDM4ECISD2NPC1
SCHEMBL31037084 0.74 CDC25B (0.46) CYP3A4HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL844149 0.74 CYP3A4 (0.49) CYP3A4HPGDSMN1; SMN2PKMTDP1
SCHEMBL15363250 0.73 ALDH1A1 (0.44) HPGDSMN1; SMN2ALOX15ALDH1A1KDM4E
SCHEMBL4908883 0.73 ALDH1A1 (0.41) HPGDSMN1; SMN2ALOX15ALDH1A1KDM4E
SCHEMBL4903452 0.73 ALDH1A1 (0.41) HPGDSMN1; SMN2ALOX15ALDH1A1KDM4E
SCHEMBL28294971 0.73 RAB9A (0.50) SMN1; SMN2ALDH1A1NPC1CYP1A2LMNA
SCHEMBL1567868 0.73 SMN1; SMN2 (0.44) HPGDSMN1; SMN2ALOX15PKMALDH1A1
SCHEMBL844171 0.73 ALDH1A1 (0.50) CYP3A4HPGDSMN1; SMN2ALOX15PKM

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.