SCHEMBL931963

SCHEMBL931963

COc1ccc(C2CC(=O)N(Cc3ccc(Br)cc3)C2)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 1.00
PDE4B Q07343 15/20 1.00
PDE4C Q08493 10/20 1.00
PDE4D Q08499 10/20 1.00
CYP3A4 P08684 2/20 0.52
VEGFA P15692 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CREBBP Q92793 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PDE5A O76074 1/20 0.52
TNF P01375 1/20 0.52
MAPK1 P28482 1/20 0.52
BLM P54132 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52

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
SCHEMBL185876 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7361512 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3547968 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3547495 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5222151 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7448224 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7362901 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7365946 0.90 PDE4B (0.82) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7361518 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3548912 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCYP3A4

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP claimed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO claimed
US-7101866-B2 6,9-Difluoro-17 alpha -((2-furanylcarbonyl)oxy)-11 beta -hydroxy-16 alpha -methyl-3-oxo-androsta-1,4-diene-17 beta -carbothioic acid S-fluoromethyl ester; antiinflammatory agents for the treatment of allergic conditions GLAXO GROUP LIMITED (GB) 2006-09-05 US claimed
EP-3131582-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2017-02-22 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015160787-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-10-22 WO disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
EP-2748156-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA Boehringer Ingelheim International GmbH (DE) 2014-07-02 EP disclosed
EP-2736886-A1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2014-06-04 EP disclosed
EP-2731941-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2014-05-21 EP disclosed
EP-2654657-A1 PACKAGINGS WITH ADSORBENT FOR MEDICINAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2013-10-30 EP disclosed
EP-1827541-A1 BLISTER FOR INHALERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-05 EP disclosed
WO-2007088188-A1 ADAPTER FOR INHALATION APPLIANCES FOR TREATMENT OF ARTIFICIALLY VENTILATED PATIENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-08-09 WO disclosed
EP-1796626-A1 NOVEL POWDER INHALATION PREPARATIONS BASED ON MODIFIED LACTOSE BLENDS THAT ARE USED AS ADJUVANTS Boehringer Ingelheim International GmbH (DE) 2007-06-20 EP disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
WO-2006136426-A1 NEBULISER AND CONTAINER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 WO disclosed
WO-2006045715-A1 BLISTER FOR INHALERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 WO disclosed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP disclosed
WO-2006037736-A1 NOVEL POWDER INHALATION PREPARATIONS BASED ON MODIFIED LACTOSE BLENDS THAT ARE USED AS ADJUVANTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 WO disclosed
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed