SCHEMBL508132

SCHEMBL508132

CSCC(=O)O[C@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.71
PGR P06401 4/20 0.69
NR3C1 P04150 4/20 0.69
HIF1A Q16665 7/20 0.68
KMT2A Q03164 2/20 0.68
AR P10275 2/20 0.67
CHRM1 P11229 2/20 0.67
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 2/20 0.59
SERPINA6 P08185 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
SHBG P04278 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
NFKB1 P19838 1/20 0.59
LMNA P02545 2/20 0.57

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
SCHEMBL508131 1.00 NR3C2 (0.71) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581829 0.91 NR3C2 (0.85) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581832 0.91 NR3C2 (0.85) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11753088 0.91 NR3C2 (0.85) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11049793 0.89 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11049796 0.89 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11049798 0.89 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11584228 0.89 PGR (0.72) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11582594 0.89 PGR (0.72) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11582589 0.89 PGR (0.72) NR3C2PGRNR3C1HIF1AKMT2A

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 99 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 claimed
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 claimed
EP-2828242-A1 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 S.A. (ES) 2015-01-28 EP claimed
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 claimed
EP-2647627-A1 Salts of 5-[(1r)-2-({2-[4-(2,2-difluoro-2-phenylethoxy)phenyl] ethyl}amino)-1-hydroxyethyl]-8-hydroxyquinolin-2(1h)-one. Almirall, S.A. (ES) 2013-10-09 EP claimed
WO-2013139712-A1 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 β2 ADRENERGIC RECEPTOR. ALMIRALL, S.A. (ES) 2013-09-26 WO claimed
EP-2641900-A1 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, S.A. (ES) 2013-09-25 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
EP-2265257-B2 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALMIRALL SA (ES) 2023-10-25 EP disclosed
EP-2954889-B1 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALMIRALL SA (ES) 2022-05-04 EP disclosed
EP-2954891-B1 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF ASTHMA ALMIRALL SA (ES) 2022-05-04 EP disclosed
US-11000517-B2 Dosage and formulation ALMIRALL, S.A. (ES) 2021-05-11 US disclosed
EP-2254860-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-12-01 EP 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
WO-2009106351-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-09-03 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 (1 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-20110251234-A1 MESYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRA2A NR3C2 24/4885PGR 3342/4885NR3C1 200/4885

“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.