SCHEMBL1827713

SCHEMBL1827713

CCOC(=O)CCc1nc2cc(C)c(C(=O)OCC)c(C)c2c(=O)n1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ PDE4B Q07343 3/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL1826000 0.93 CNR1 (0.52) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL1824391 0.90 CNR1 (0.53) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL10973972 0.89 CNR1 (0.57) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL11075597 0.88 CNR1 (0.56) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL10975710 0.88 CNR1 (0.54) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL10979002 0.86 CNR1 (0.51) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL11040498 0.85 CNR1 (0.51) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL10976108 0.84 CNR1 (0.65) CNR1CNR2PDE4BPDE4APDE4C
SCHEMBL10974218 0.83 CNR1 (0.66) CNR1CNR2PDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL11073900 0.83 CNR1 (0.56) CNR1CNR2PDE4BPDE4APDE4C

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 6 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-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 CNR1 1/4885CNR2 8/4885PDE4B 170/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CNR1 1/4885CNR2 8/4885PDE4B 146/4885

“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.

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