SCHEMBL507933

SCHEMBL507933

O=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.63
CHRM2 P08172 8/20 0.63
CHRM1 P11229 8/20 0.63
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
Hydrochloric Acid SCHEMBL9190355 0.99 CHRM3 (0.61) CHRM3CHRM2CHRM1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL9192396 0.95 CHRM3 (0.64) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL9192498 0.93 CHRM3 (0.55) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9193761 0.92 CHRM3 (0.54) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9196251 0.91 CHRM3 (0.65) CHRM3CHRM2CHRM1ALDH1A1
Hydrochloric Acid SCHEMBL9196506 0.87 KDM4E (0.51) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL9195215 0.86 CHRM3 (0.63) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL4889750 0.85 KEAP1 (0.60) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL9676343 0.85 CHRM3 (0.55) CHRM3CHRM2CHRM1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL9197064 0.85 CHRM3 (0.62) CHRM3CHRM2CHRM1KEAP1NFE2L2

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 198 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
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2015-03-05 US claimed
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 claimed
EP-2834219-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) 2015-02-11 EP 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
WO-2013149959-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) 2013-10-10 WO 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-2121615-B1 NAPADISYLATE 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) 2012-03-28 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
US-20110195943-A9 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-08-11 US 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
US-20100093681-A1 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2010-04-15 US claimed
EP-2121615-A1 NAPADISYLATE 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) 2009-11-25 EP claimed
WO-2008095720-A1 NAPADISYLATE 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) 2008-08-14 WO claimed
EP-0486734-B1 1-Aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders MARION MERRELL DOW INC (US) 1995-08-30 EP claimed
EP-0486734-A1 1-Aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders MARION MERRELL DOW INC. (US) 1992-05-27 EP claimed

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-20110251234-A1 MESYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRA2A CHRM3 73/4885CHRM2 74/4885CHRM1 112/4885
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 CHRM3 43/4885CHRM2 45/4885CHRM1 73/4885
US-20100093681-A1 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A CHRM3 137/4885CHRM2 126/4885CHRM1 147/4885
US-20110195943-A9 NAPADISYLATE SALT OF 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ADRA2C, ADRB2, ADRA2A CHRM3 137/4885CHRM2 126/4885CHRM1 147/4885
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE SULT2A1, SULT1E1, SULT1A1 CHRM3 2943/4885CHRM2 2643/4885CHRM1 1623/4885

“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.