SCHEMBL508917

SCHEMBL508917

CS(=O)(=O)Oc1ccc([C@@H](O)CNCCCCCCOCC(F)(F)c2ccccc2)c2ccc(=O)[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.76
ADRB1 P08588 15/20 0.76
CHRM3 P20309 2/20 0.44
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL2758562 0.91 ADRB2 (0.80) ADRB2ADRB1CHRM3DRD2DRD1
Abediterol SCHEMBL508915 0.90 ADRB2 (0.94) ADRB2ADRB1CHRM3
Abediterol SCHEMBL508916 0.90 ADRB2 (0.94) ADRB2ADRB1CHRM3
SCHEMBL3299628 0.89 ADRB2 (0.80) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL244647 0.87 ADRB2 (0.77) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL2004900 0.87 ADRB2 (0.77) ADRB2ADRB1CHRM3DRD2DRD1
Abediterol SCHEMBL29350050 0.86 ADRB2 (1.00) ADRB2ADRB1CHRM3
Abediterol SCHEMBL241483 0.86 ADRB2 (1.00) ADRB2ADRB1CHRM3
Abediterol SCHEMBL243662 0.86 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL15299938 0.83 ADRB2 (0.54) ADRB2ADRB1CHRM3DRD2DRD1

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
US-20140343097-A1 5-(2-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE FOR THE TREATMENT OF LUNG FUNCTION ALMIRALL, S.A. (ES) 2014-11-20 US disclosed
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 disclosed
EP-2398473-B1 5-(2-{[6-(2, 2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2-(1H)-one for the treatment of lung function ALMIRALL SA (ES) 2013-07-24 EP disclosed
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 disclosed
US-20120040941-A1 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AND ITS USE IN THE TREATMENT OF PULMONARY DISEASES ALMIRALL, S.A. (ES) 2012-02-16 US disclosed
US-20120029014-A1 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2 (1H)-ONE FOR THE TREATMENT OF LUNG FUNCTION ALMIRALL, S.A. (ES) 2012-02-02 US disclosed
EP-2398772-A1 5- (2-{ Ý6- (2, 2-DIFLUORO-2-PHENYLETHOXY) HEXYL¨AMINO}-L-HYDROXYETHYL) -8-HYDROXYQUIN OLIN-2 (1H)-ONE AND ITS USE IN THE TREATMENT OF PULMONARY DISEASES Almirall S.A. (ES) 2011-12-28 EP disclosed
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 disclosed
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 disclosed
WO-2010094483-A1 5- (2-{ [6- (2, 2-DIFLUORO-2-PHENYLETHOXY) HEXYL] AMINO} -1-HYDROXYETHYL) -8-HYDROXYQUINOLIN-2 (IH)-ONE FOR THE TREATMENT OF LUNG FUNCTION ALMIRALL, S.A. (ES) 2010-08-26 WO disclosed
WO-2010094484-A1 5- (2-{ [6- (2, 2-DIFLUORO-2-PHENYLETHOXY) HEXYL] AMINO}-L-HYDROXYETHYL) -8-HYDROXYQUIN OLIN-2 (1H)-ONE AND ITS USE IN THE TREATMENT OF PULMONARY DISEASES ALMIRALL, S.A. (ES) 2010-08-26 WO disclosed
EP-2221055-A1 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one for the treatment of lung function Almirall, S.A. (ES) 2010-08-25 EP disclosed
EP-2221297-A1 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one and its use in the treatment of pulmonary diseases Almirall, S.A. (ES) 2010-08-25 EP disclosed
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 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 (4 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-20120040941-A1 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AND ITS USE IN THE TREATMENT OF PULMONARY DISEASES ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885CHRM3 22/4885
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 ADRB2 1/4885ADRB1 4/4885CHRM3 73/4885
US-20140343097-A1 5-(2-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE FOR THE TREATMENT OF LUNG FUNCTION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2, CYP27A1 ADRB2 194/4885ADRB1 193/4885CHRM3 279/4885
US-20120029014-A1 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2 (1H)-ONE FOR THE TREATMENT OF LUNG FUNCTION SULT1E1, SULT2A1, UGT1A1 ADRB2 282/4885ADRB1 255/4885CHRM3 241/4885

“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.