Sad448

Sad448

SCHEMBL844484

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CNR1CNR2

The experimentally established mechanism targets of Sad448. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 known ✓ P21554 1/20 1.00
CNR2 known ✓ P34972 1/20 1.00
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
ADORA1 P30542 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
PIK3CD O00329 4/20 0.31
PKMYT1 Q99640 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL844333 0.95 CNR1 (0.90) CNR1CNR2PIK3CDPKMYT1
SCHEMBL17692331 0.95 CNR1 (0.90) CNR1CNR2KDM4ETHRBADORA1
SCHEMBL844174 0.93 CNR1 (0.87) CNR1CNR2KDM4ETHRBADORA1
Hydrochloric Acid SCHEMBL844735 0.92 CNR1 (0.86) CNR1CNR2KDM4ETHRBADORA1
SCHEMBL17692388 0.92 CNR1 (0.86) CNR1CNR2KDM4EPIK3CDPKMYT1
SCHEMBL845014 0.89 CNR1 (0.80) CNR1CNR2KDM4EPIK3CDPKMYT1
SCHEMBL844571 0.88 CNR1 (0.79) CNR1CNR2KDM4ETHRBADORA1
SCHEMBL17694535 0.88 CNR1 (0.79) CNR1CNR2KDM4ETHRBADORA1
SCHEMBL18673206 0.88 CNR1 (0.78) CNR1CNR2KDM4EPIK3CDALDH1A1
SCHEMBL17692387 0.87 CNR1 (0.77) CNR1CNR2PIK3CD

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 31 patents — showing the first 20. 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 claimed
EP-1472234-B1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2012-03-28 EP claimed
EP-2319839-A1 Quinazolinone derivatives and their use as CB agonists Novartis AG (CH) 2011-05-11 EP claimed
US-20080004296-A1 Organic Compounds CHARMAN CHRISTINE 2008-01-03 US claimed
US-20070265285-A1 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2007-11-15 US claimed
WO-2005123694-A2 QUINAZOLINONE COMPOUNDS FOR THE TREATMENT OF COUGH NOVARTIS AG (CH) 2005-12-29 WO claimed
WO-2005058326-A1 USE OF QUINAZOLINONE DERIVATIVES FOR THE INHIBITION OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRs) ASTRAZENECA AB (SE) 2005-06-30 WO claimed
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists BRAIN CHRISTOPHER T (GB) 2005-04-21 US claimed
EP-1472234-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS Novartis AG (CH) 2004-11-03 EP claimed
WO-2003066603-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2003-08-14 WO claimed
US-10016441-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension NOVARTIS AG (CH) 2018-07-10 US disclosed
US-20170239268-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION ALCON INC. (CH) 2017-08-24 US disclosed
US-9604949-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension NOVARTIS AG (CH) 2017-03-28 US disclosed
US-20160108012-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION NOVARTIS AG (CH) 2016-04-21 US disclosed
US-8552015-B2 Quinazolinone derivatives and their use as CB agonists NOVARTIS AG (CH) 2013-10-08 US disclosed
WO-2005123694-A2 QUINAZOLINONE COMPOUNDS FOR THE TREATMENT OF COUGH NOVARTIS AG (CH) 2005-12-29 WO disclosed
WO-2005058326-A1 USE OF QUINAZOLINONE DERIVATIVES FOR THE INHIBITION OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRs) ASTRAZENECA AB (SE) 2005-06-30 WO 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 (6 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-20160108012-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885KDM4E 4090/4885
US-20070265285-A1 Quinazolinone derivatives and their use as CB agonists CNR1, ADRB1, ADRA1D CNR1 1/4885CNR2 8/4885KDM4E 3258/4885
US-10016441-B2 Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885KDM4E 4090/4885
US-20170239268-A1 PROSTAGLANDIN CONJUGATES AND DERIVATIVES FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION PTGIR, PTGIS, PTGS1 CNR1 952/4885CNR2 462/4885KDM4E 4090/4885
US-20080004296-A1 Organic Compounds OTC, OAT, CHRM1 CNR1 595/4885CNR2 1208/4885KDM4E 3309/4885
US-20050085493-A1 Quinazolinone derivatives and their use as cb agonists CNR1, ADRB1, ADRA2B CNR1 1/4885CNR2 8/4885KDM4E 3214/4885

“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.