SCHEMBL2008565

SCHEMBL2008565

O=C1c2ccccc2C(=O)N1CCCCCCOCC(F)(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 5/20 0.45
HTR1A P08908 2/20 0.44
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL31248139 1.00 SMN1; SMN2 (0.50) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL31257872 0.92 SMN1; SMN2 (0.42) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL2010697 0.87 RAB9A (0.49) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL10337042 0.80 MAPT (0.64) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL31627182 0.77 RAB9A (0.48) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL10557663 0.76 MAPT (0.69) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL20492122 0.76 TDP1 (0.65) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL28453669 0.76 RAB9A (0.55) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL29739813 0.76 RAB9A (0.55) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL25983659 0.76 TDP1 (0.55) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8420669-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the BETA2 adrenergic receptor LABORATORIES ALMIRALL, S.A. (ES) 2013-04-16 US disclosed
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 disclosed
US-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US disclosed
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-05-10 US disclosed
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US disclosed
EP-1885684-B9 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-04-25 EP 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
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
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 (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-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE UGT1A8, UGT1A1, UGT8 SMN1; SMN2 1434/4885TDP1 2092/4885L3MBTL1 4841/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 SMN1; SMN2 3832/4885TDP1 4721/4885L3MBTL1 3439/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 SMN1; SMN2 3113/4885TDP1 4691/4885L3MBTL1 3262/4885
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C SMN1; SMN2 3260/4885TDP1 2844/4885L3MBTL1 4438/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C SMN1; SMN2 3622/4885TDP1 2848/4885L3MBTL1 4464/4885

“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.