SCHEMBL146818

SCHEMBL146818

N#CC1(c2ccc(OC(F)F)c(OCC3CC3)c2)CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.50
PDE4D Q08499 14/20 0.50
PDE4A P27815 12/20 0.50
PDE4C Q08493 12/20 0.50
ABCB11 O95342 1/20 0.41

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
SCHEMBL852053 1.00 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL146817 1.00 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5184516 0.89 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7414607 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL7414604 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL7786887 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL6197797 0.88 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6196613 0.88 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6196611 0.88 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5306792 0.87 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CABCB11

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 1241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828242-B1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. ALMIRALL SA (ES) 2017-10-04 EP claimed
US-9737521-B2 Pharmaceutical compositions containing a PDE4 inhibitor and a PI3 delta or dual PI3 delta-gamma kinase inhibitor RHIZEN PHARMACEUTICALS SA (CH) 2017-08-22 US claimed
EP-1305329-B2 6.ALPHA.,9.ALPHA.-DIFLUORO-17.ALPHA.-(2-FURANYLCARBOXYL)OXY-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-ANDROST-1,4-DIENE-17-CARBOTHIOIC ACID S-FLUOROMETHYL ESTER AS AN ANTI-INFLAMMATORY AGENT GLAXO GROUP LTD (GB) 2015-03-18 EP claimed
EP-2834219-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE Almirall S.A. (ES) 2015-02-11 EP claimed
EP-2828242-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. Almirall S.A. (ES) 2015-01-28 EP claimed
WO-2013149959-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2013-10-10 WO claimed
WO-2013139712-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE β2 ADRENERGIC RECEPTOR. ALMIRALL, S.A. (ES) 2013-09-26 WO claimed
EP-2641900-A1 Novel polymorphic Crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy) hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one, heminapadisylate as agonist of the ß2 adrenergic receptor. Almirall, S.A. (ES) 2013-09-25 EP claimed
EP-2367796-B1 MESYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO }-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-10-24 EP claimed
US-8273894-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-09-25 US claimed
WO-2008095720-A1 NAPADISYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2008-08-14 WO claimed
US-20080051379-A1 Compositions and Methods for the Treatment of Peripheral B-Cell Neoplasms TRUSTEES OF BOSTON UNIVERSITY (US) 2008-02-28 US claimed
EP-1305329-B1 6.ALPHA.,9.ALPHA.-DIFLUORO-17.ALPHA.-(2-FURANYLCARBOXYL)OXY-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-ANDROST-1,4-DIENE-17-CARBOTHIOIC ACID S-FLUOROMETHYL ESTER AS AN ANTI-INFLAMMATORY AGENT GLAXO GROUP LTD (GB) 2007-12-05 EP claimed
EP-1781298-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP 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
WO-2006062817-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERIPHERAL B-CELL NEOPLASMS BOSTON MEDICAL CENTER CORPORATION (US) 2006-06-15 WO claimed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US claimed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
EP-0636026-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2001-12-05 EP claimed

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-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE12, PDE3A, PDE3B PDE4B 5/4885PDE4D 15/4885PDE4A 6/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 PDE4B 2/4885PDE4D 16/4885PDE4A 6/4885

“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.