SCHEMBL691228

SCHEMBL691228

COc1ccc(-c2nc(C(=O)N3C[C@H](NC(=O)C4CC4)C[C@H]3C(=O)O)c(CCN)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.58
PDE11A Q9HCR9 13/20 0.58
PDE10A Q9Y233 10/20 0.58

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
SCHEMBL8084612 0.88 PDE4B (0.60) PDE4BPDE11APDE10A
SCHEMBL16393759 0.88 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL16393762 0.88 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152336 0.88 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152335 0.88 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL8233465 0.83 PDE4B (0.82) PDE4BPDE11APDE10A
SCHEMBL12464378 0.82 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL13919447 0.81 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12396146 0.81 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12923213 0.81 PDE4B (0.48) PDE4BPDE11APDE10A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082708-A1 MEDIA MILLING PROCESS FOR THE MANUFACTURE OF ACTIVE PHARMACEUTICAL INGREDIENTS IN PROPELLANTS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015094927-A1 MEDIA MILLING PROCESS FOR THE MANUFACTURE OF ACTIVE PHARMACEUTICAL INGREDIENTS IN PROPELLANTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
EP-2498847-A1 DRUG PRODUCTS AND DRY POWDER INHALERS WITH MULTIPLE RESERVOIRS Merck Sharp & Dohme Corp. (US) 2012-09-19 EP disclosed
EP-2421514-A2 AGGLOMERATE FORMULATIONS USEFUL IN DRY POWDER INHALERS Schering Corporation (US) 2012-02-29 EP disclosed
EP-2421518-A2 AGGLOMERATE FORMULATIONS INCLUDING ACTIVE PHARMACEUTICAL AGENTS WITH TARGETED PARTICLE SIZES Schering Corporation (US) 2012-02-29 EP disclosed
WO-2010124198-A9 AGGLOMERATE FORMULATIONS USEFUL IN DRY POWDER INHALERS SCHERING CORPORATION (US) 2011-10-13 WO disclosed
WO-2011059968-A1 DRUG PRODUCTS AND DRY POWDER INHALERS WITH MULTIPLE RESERVOIRS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
WO-2010124198-A2 AGGLOMERATE FORMULATIONS USEFUL IN DRY POWDER INHALERS SCHERING CORPORATION (US) 2010-10-28 WO disclosed
WO-2010124203-A2 AGGLOMERATE FORMULATIONS INCLUDING ACTIVE PHARMACEUTICAL AGENTS WITH TARGETED PARTICLE SIZES SCHERING CORPORATION (US) 2010-10-28 WO disclosed
EP-2121090-A2 DISPENSER DOSE COUNTER MECHANISM SCHERING CORPORATION (US) 2009-11-25 EP disclosed
EP-2099514-A2 DOSE COUNTER MECHANISM SCHERING CORPORATION (US) 2009-09-16 EP disclosed
WO-2009086009-A1 DOSE COUNTERS AND CONTAINERS SCHERING CORPORATION (US) 2009-07-09 WO disclosed
WO-2008079360-A2 DISPENSER DOSE COUNTER MECHANISM SCHERING CORPORATION (US) 2008-07-03 WO disclosed
WO-2008079350-A2 DOSE COUNTER MECHANISM SCHERING CORPORATION (US) 2008-07-03 WO disclosed