Sugi Predict

Sugi Predict / Compounds / SCHEMBL844571

SCHEMBL844571

SCHEMBL844571

CCOC(=O)c1c(C)cc2nc(CO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.79
▸ CNR2 P34972 1/20 0.79
▸ ADORA1 P30542 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL844232 0.93 CNR1 (0.69) CNR1CNR2MAPTSMN1; SMN2TP53
SCHEMBL844904 0.90 CNR1 (0.72) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL845150 0.89 CNR1 (0.64) CNR1CNR2TSHRKMT2AALDH1A1
SCHEMBL844516 0.89 CNR1 (0.75) CNR1CNR2THRBKDM4ELMNA
SCHEMBL844174 0.89 CNR1 (0.87) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL17694535 0.88 CNR1 (0.79) CNR1CNR2ADORA1PDE1APDE1B
Sad448 SCHEMBL844484 0.88 CNR1 (1.00) CNR1CNR2ADORA1PDE1APDE1B
Hydrochloric Acid SCHEMBL844735 0.88 CNR1 (0.86) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL17692331 0.87 CNR1 (0.90) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL844485 0.87 CNR1 (0.75) CNR1CNR2ADORA1PDE1APDE1B

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 CNR1 1/4885CNR2 8/4885ADORA1 107/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CNR1 1/4885CNR2 8/4885ADORA1 120/4885

“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.