SCHEMBL561100

SCHEMBL561100

O=C1COc2c(cc(OCc3ccccc3)cc2C(=O)CCl)N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
ADRB2 P07550 5/20 0.43
CREBBP Q92793 1/20 0.42
ADRB1 P08588 3/20 0.41
GYS1 P13807 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30223645 1.00 MAOA (0.46) MAOAMAOBALDH1A1MAPTADRB2
SCHEMBL1764304 0.89 MAOA (0.46) MAOAMAOBALDH1A1MAPTADRB2
SCHEMBL560342 0.87 MAOB (0.48) MAOAMAOBADRB2CREBBPADRB1
SCHEMBL29498303 0.87 MAOB (0.48) MAOAMAOBADRB2CREBBPADRB1
SCHEMBL564845 0.85 MAOA (0.46) MAOAMAOBADRB2CREBBPADRB1
SCHEMBL19327165 0.84 GYS1 (0.42) MAOAMAOBALDH1A1MAPTADRB2
SCHEMBL18227270 0.84 MAOA (0.41) MAOAMAOBALDH1A1MAPTADRB2
SCHEMBL28944096 0.82 ADRB2 (0.43) MAOAMAOBADRB2CREBBPADRB1
SCHEMBL18239882 0.81 MAPT (0.43) MAOAMAOBALDH1A1MAPTADRB2
SCHEMBL563580 0.80 ADRB2 (0.42) MAOAMAOBADRB2CREBBPADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
US-7939658-B2 Enantiomeric pure beta agonists, manufacturing and use as a medicaments thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 US 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-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 (7 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-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF ADRB1, ADRB2, ADRA1B MAOA 376/4885MAOB 206/4885ALDH1A1 2339/4885
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B MAOA 313/4885MAOB 182/4885ALDH1A1 2222/4885
US-20050267106-A1 New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments ADRB1, ADRB2, ADRA1D MAOA 984/4885MAOB 1198/4885ALDH1A1 2341/4885
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS ADRB1, ADRB2, ADRA1D MAOA 528/4885MAOB 536/4885ALDH1A1 1138/4885
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments ADRB1, ADRB2, ADRA1D MAOA 600/4885MAOB 611/4885ALDH1A1 1255/4885
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS ADRB1, ADRB2, ADRB3 MAOA 699/4885MAOB 630/4885ALDH1A1 765/4885
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists ADRB1, ADRB2, ADRB3 MAOA 699/4885MAOB 630/4885ALDH1A1 765/4885

“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.