SCHEMBL244647

SCHEMBL244647

O=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.77
ADRB1 P08588 14/20 0.77
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
CHRM3 P20309 2/20 0.46

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
SCHEMBL2004900 1.00 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2758562 0.90 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL3299628 0.90 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
Abediterol SCHEMBL29350050 0.87 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL4890724 0.87 ADRB2 (0.61) ADRB2ADRB1DRD2DRD1DRD4
Abediterol SCHEMBL243662 0.87 ADRB2 (1.00) ADRB2ADRB1CHRM3
Abediterol SCHEMBL241483 0.87 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL508917 0.87 ADRB2 (0.76) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL242081 0.86 ADRB2 (0.57) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2007626 0.86 ADRB2 (0.57) ADRB2ADRB1DRD2DRD1DRD4

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 25 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 disclosed
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 disclosed
US-9108918-B2 Process for preparing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one via a novel intermediate ALMIRALL, S.A. (ES) 2015-08-18 US disclosed
US-9108918-B2 Process for preparing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one via a novel intermediate ALMIRALL, S.A. (ES) 2015-08-18 US disclosed
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 disclosed
US-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE ALMIRALL, S.A. (ES) 2015-01-08 US disclosed
US-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE ALMIRALL, S.A. (ES) 2015-01-08 US disclosed
US-8524908-B2 Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one ALMIRALL, S.A. (ES) 2013-09-03 US disclosed
US-8524908-B2 Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one ALMIRALL, S.A. (ES) 2013-09-03 US disclosed
US-8524908-B2 Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one ALMIRALL, S.A. (ES) 2013-09-03 US disclosed
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2012-01-05 US disclosed
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2012-01-05 US disclosed
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2012-01-05 US disclosed
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. 2011-10-13 US disclosed
US-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR PUIG DURAN CARLOS 2011-10-13 US disclosed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP disclosed
US-7964615-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2011-06-21 US disclosed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP disclosed
EP-2228368-A1 Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy) hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one Almirall, S.A. (ES) 2010-09-15 EP disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US 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 (6 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-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 89/4885
US-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE UGT1A8, UGT1A1, UGT8 ADRB2 411/4885ADRB1 493/4885DRD2 402/4885
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE HAX1, CYP4B1, CYP4X1 ADRB2 751/4885ADRB1 945/4885DRD2 672/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 ADRB2 1/4885ADRB1 4/4885DRD2 88/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 72/4885
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 ADRB2 2/4885ADRB1 5/4885DRD2 285/4885

“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.