SCHEMBL155477

SCHEMBL155477

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 1.00
PDE4A P27815 19/20 1.00
PDE4B Q07343 19/20 1.00
PDE4C Q08493 19/20 1.00
PDE11A Q9HCR9 1/20 0.64

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
SCHEMBL4699020 0.86 PDE4A (0.76) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6963861 0.86 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4701016 0.84 PDE4A (0.73) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4697774 0.83 PDE4A (0.71) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4702660 0.83 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4701218 0.83 PDE4D (0.78) PDE4DPDE4APDE4BPDE4C
SCHEMBL4699354 0.82 PDE4A (0.70) PDE4DPDE4APDE4BPDE4C
SCHEMBL4701166 0.82 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8633792 0.82 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4698780 0.82 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A

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 357 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-9346759-B2 Polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, heminapadisytlate as agonist of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2016-05-24 US claimed
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2015-03-05 US claimed
US-20150057256-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL S.A. (ES) 2015-02-26 US 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
US-8563731-B2 Mesylate salt of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]jamino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one as agonist of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2013-10-22 US 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
EP-2121615-B1 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 SA (ES) 2012-03-28 EP claimed
US-20110251234-A1 MESYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-10-13 US claimed
EP-2367796-A1 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, S.A. (ES) 2011-09-28 EP claimed
US-20110195943-A9 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-08-11 US claimed
WO-2010072354-A1 MESYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO }-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2010-07-01 WO claimed
US-20100093681-A1 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2010-04-15 US claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
EP-2265257-B2 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALMIRALL SA (ES) 2023-10-25 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 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 (5 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-20110251234-A1 MESYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRA2A PDE4D 324/4885PDE4A 299/4885PDE4B 367/4885
US-20150057256-A1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A PDE4D 386/4885PDE4A 367/4885PDE4B 274/4885
US-20100093681-A1 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A PDE4D 341/4885PDE4A 261/4885PDE4B 237/4885
US-20110195943-A9 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A PDE4D 341/4885PDE4A 261/4885PDE4B 237/4885
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE SULT2A1, SULT1E1, SULT1A1 PDE4D 3785/4885PDE4A 4246/4885PDE4B 4063/4885

“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.