Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Abediterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 19/20 | 0.94 |
| ▸ | ADRB1 | P08588 | 17/20 | 0.94 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Abediterol SCHEMBL508916 | 1.00 | ADRB2 (0.94) | ADRB2ADRB1CHRM3 | |
| Abediterol SCHEMBL241483 | 0.97 | ADRB2 (1.00) | ADRB2ADRB1CHRM3 | |
| Abediterol SCHEMBL29350050 | 0.97 | ADRB2 (1.00) | ADRB2ADRB1CHRM3 | |
| Abediterol SCHEMBL243662 | 0.97 | ADRB2 (1.00) | ADRB2ADRB1CHRM3 | |
| SCHEMBL15280150 | 0.90 | ADRB2 (0.84) | ADRB2ADRB1CHRM3 | |
| SCHEMBL508917 | 0.90 | ADRB2 (0.76) | ADRB2ADRB1CHRM3 | |
| SCHEMBL13202777 | 0.89 | ADRB2 (0.83) | ADRB2ADRB1CHRM3 | |
| SCHEMBL19417121 | 0.89 | ADRB2 (0.82) | ADRB2ADRB1CHRM3 | |
| SCHEMBL15280091 | 0.89 | ADRB2 (0.84) | ADRB2ADRB1CHRM3 | |
| SCHEMBL2758564 | 0.88 | ADRB2 (0.80) | ADRB2ADRB1CHRM3 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.
| Patent | Title | Text reads most about | Predicted 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.