SCHEMBL561097

SCHEMBL561097

O=C1COc2c(cc(OCc3ccccc3)cc2C2CO2)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
MAOA P21397 8/20 0.47
CREBBP Q92793 2/20 0.46
ADRB2 P07550 3/20 0.40
GYS1 P13807 1/20 0.39
PARP1 P09874 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
GRM5 P41594 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
ADRB1 P08588 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL1764115 1.00 MAOB (0.47) MAOBMAOACREBBPADRB2GYS1
SCHEMBL31454793 1.00 MAOB (0.47) MAOBMAOACREBBPADRB2GYS1
SCHEMBL3236352 0.81 MAOB (0.57) MAOBMAOACREBBPNPC1ALDH1A1
SCHEMBL12648407 0.80 DRD2 (0.40) MAOBMAOAADRB2NPC1ADRB1
SCHEMBL12594396 0.78 PKM (0.39) MAOBMAOAADRB2ALDH1A1SMN1; SMN2
SCHEMBL20285605 0.78 NR3C2 (0.35) ADRB2PARP1ALDH1A1ADRB1
SCHEMBL560342 0.78 MAOB (0.48) MAOBMAOACREBBPADRB2GYS1
SCHEMBL29498303 0.78 MAOB (0.48) MAOBMAOACREBBPADRB2GYS1
SCHEMBL1764304 0.76 MAOA (0.46) MAOBMAOACREBBPADRB2GYS1
SCHEMBL561100 0.76 MAOA (0.46) MAOBMAOACREBBPADRB2GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997248-B Crystal form B of ondarot hydrochloride and preparation method thereof 上海方予健康医药科技有限公司 2023-08-01 CN disclosed
CN-115678936-A Method for selectively synthesizing chiral alcohol and epoxy compound 广东东阳光药业有限公司 2023-02-03 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-1917253-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
EP-1789405-B1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-8420809-B2 Process for the manufacturing of betamimetics BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
EP-1809236-B1 INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-12-26 EP disclosed
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8034809-B2 Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US disclosed
EP-2125759-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
WO-2007104772-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
EP-1809236-A1 INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-25 EP 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-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-2005110359-A1 INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO 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
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-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-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS ADRB1, ADRB2, ADRB3 MAOB 630/4885MAOA 699/4885CREBBP 3077/4885
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.