SCHEMBL561768

SCHEMBL561768

O=C1COc2c(cc(OCc3ccccc3)cc2[C@@H](O)CCl)N1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.53
ADRB1 P08588 11/20 0.52
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL12594506 0.91 ADRB2 (0.54) ADRB2ADRB1MAOAMAOB
SCHEMBL20321903 0.90 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL19350700 0.86 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL18227271 0.84 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL1856496 0.82 ADRB2 (0.47) ADRB2ADRB1MAOAMAOB
SCHEMBL5190891 0.80 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL30223645 0.80 MAOA (0.46) ADRB2ADRB1MAOAMAOB
SCHEMBL561100 0.80 MAOA (0.46) ADRB2ADRB1MAOAMAOB
SCHEMBL564845 0.80 MAOA (0.46) ADRB2ADRB1MAOAMAOB
SCHEMBL20322228 0.80 ADRB1 (0.77) ADRB2ADRB1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7534789-B2 Enantiomeric pure β agonists, manufacturing and use as a medicament thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-19 US disclosed
US-7491719-B2 Enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
EP-1996581-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-03 EP disclosed
WO-2007104772-A9 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2007-11-22 WO 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-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-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 ADRB2 2/4885ADRB1 1/4885MAOA 376/4885
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B ADRB2 4/4885ADRB1 1/4885MAOA 313/4885
US-20050267106-A1 New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments ADRB1, ADRB2, ADRA1D ADRB2 2/4885ADRB1 1/4885MAOA 984/4885
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS ADRB1, ADRB2, ADRA1D ADRB2 2/4885ADRB1 1/4885MAOA 528/4885
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments ADRB1, ADRB2, ADRA1D ADRB2 2/4885ADRB1 1/4885MAOA 600/4885
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885MAOA 699/4885
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885MAOA 699/4885

“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.