SCHEMBL560342

SCHEMBL560342

CC(=O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
MAOA P21397 6/20 0.47
CREBBP Q92793 1/20 0.46
NR3C2 P08235 1/20 0.43
ADRB2 P07550 4/20 0.43
ADRB1 P08588 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GYS1 P13807 1/20 0.41

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
SCHEMBL29498303 1.00 MAOB (0.48) MAOBMAOACREBBPNR3C2ADRB2
SCHEMBL1764304 0.87 MAOA (0.46) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL561100 0.87 MAOA (0.46) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL564845 0.87 MAOA (0.46) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL30223645 0.87 MAOA (0.46) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL28944096 0.86 ADRB2 (0.43) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL563580 0.84 ADRB2 (0.42) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL29749604 0.84 ADRB2 (0.42) MAOBMAOACREBBPADRB2ADRB1
SCHEMBL19327165 0.82 GYS1 (0.42) MAOBMAOACREBBPADRB2GYS1
SCHEMBL18227270 0.82 MAOA (0.41) MAOBMAOACREBBPADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
CN-112592323-B Process for preparing odaterol and salts thereof 上海谷森医药有限公司 2022-07-01 CN disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
CN-112592323-A Process for preparing odaterol and salts thereof 上海谷森医药有限公司 2021-04-02 CN disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 CN disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP disclosed
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 CN disclosed
CN-107108502-A having beta2Biphenyl derivatives with receptor agonism and M receptor antagonistic activity and application thereof in medicine 四川海思科制药有限公司 2017-08-29 CN disclosed
WO-2016180349-A1 BIPHENYL DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREFOF IN MEDICAMENT 四川海思科制药有限公司 2016-11-17 WO disclosed
EP-1789405-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-30 EP disclosed
US-7220742-B2 Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-22 US disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
WO-2007020227-A1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 WO disclosed
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments LUSTENBERGER PHILIPP 2007-02-01 US disclosed
US-20050267106-A1 New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005111005-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
WO-2005110359-A1 INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 MAOB 1583/4885MAOA 1291/4885CREBBP 3887/4885
US-20050267106-A1 New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments ADRB1, ADRB2, ADRA1D MAOB 1198/4885MAOA 984/4885CREBBP 1384/4885
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments ADRB1, ADRB2, ADRA1D MAOB 611/4885MAOA 600/4885CREBBP 1133/4885
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOB 200/4885MAOA 175/4885CREBBP 1818/4885
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists ADRB1, ADRB2, ADRB3 MAOB 630/4885MAOA 699/4885CREBBP 3077/4885

“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.