SCHEMBL244835

SCHEMBL244835

NCCCCCCOCC(F)(F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
SLC7A5 Q01650 4/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL1722311 0.83 CES1 (0.49) ADRB2ADRB1KCNH2HDAC1HDAC2
SCHEMBL14850528 0.83 ADRB2 (0.40) ADRB2ADRB1HDAC1HDAC2
SCHEMBL16367918 0.83 CES1 (0.49) ADRB2ADRB1KCNH2HDAC1HDAC2
SCHEMBL2008716 0.83 ADRB2 (0.42) ADRB2ADRB1HDAC1HDAC2
SCHEMBL244848 0.83 ADRB2 (0.40) ADRB2ADRB1HDAC1HDAC2
SCHEMBL16367914 0.83 ADRB2 (0.40) ADRB2ADRB1CA2HDAC1HDAC2
SCHEMBL2012648 0.82 KIF11 (0.47) KIF11SLC7A5KCNH2HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL1723857 0.82 CES1 (0.47) ADRB2ADRB1KCNH2HDAC1HDAC2
SCHEMBL8670825 0.80 HDAC1 (0.50) ADRB2ADRB1HDAC1HDAC2
SCHEMBL14850524 0.80 ADRB2 (0.42) ADRB2ADRB1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763967-A1 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) 2014-08-13 EP claimed
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 claimed
WO-2013050375-A1 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) 2013-04-11 WO claimed
EP-2578570-A1 Novel process for preparing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1(r)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one via novel intermediates of synthesis. Almirall, S.A. (ES) 2013-04-10 EP claimed
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2012-01-05 US claimed
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 claimed
WO-2022172292-A1 A PROCESS FOR PREPARING ABEDITEROL AND INTERMEDIATES THEREOF GBR LABORATORIES PRIVATE LIMITED (IN) 2022-08-18 WO 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-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-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-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
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
WO-2010102831-A1 PROCESS FOR MANUFACTURING 5-(2-{[6-(2,2-DIFLUORO-2-PHENYIETHOXY) HEXYL]AMINO}-L- HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE. ALMIRALL, S.A. (ES) 2010-09-16 WO 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
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
EP-1885684-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2008-02-13 EP disclosed
WO-2006122788-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2006-11-23 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 (3 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-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE UGT1A8, UGT1A1, UGT8 KIF11 1414/4885ADRB2 411/4885ADRB1 493/4885
US-20120004414-A1 PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE HAX1, CYP4B1, CYP4X1 KIF11 4364/4885ADRB2 751/4885ADRB1 945/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 KIF11 3154/4885ADRB2 1/4885ADRB1 3/4885

“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.