Olodaterol

Olodaterol

SCHEMBL561592

COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1.O=C(O)CCC(=O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Olodaterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 19/20 0.90
ADRB1 P08588 18/20 0.90
CHRM2 P08172 1/20 0.90
HTR1A P08908 1/20 0.90
ADRA2A P08913 1/20 0.90
HTR2A P28223 1/20 0.90
SLC6A4 P31645 1/20 0.90
ADRA1A P35348 1/20 0.90
PTGS2 P35354 1/20 0.90
HTR2B P41595 1/20 0.90
SLC6A3 Q01959 1/20 0.90
PDE4D Q08499 1/20 0.90
KCNH2 Q12809 1/20 0.90

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
Olodaterol SCHEMBL29737213 0.95 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL560926 0.95 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL29355155 0.95 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL140805 0.95 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL29371816 0.94 ADRB1 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL560669 0.94 ADRB1 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL152331 0.94 ADRB1 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL560886 0.93 ADRB2 (0.89) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL561364 0.93 ADRB2 (0.89) ADRB2ADRB1CHRM2HTR1AADRA2A
Olodaterol SCHEMBL4219120 0.93 ADRB2 (0.89) ADRB2ADRB1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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 ADRB2 2/4885ADRB1 1/4885CHRM2 13/4885
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS ADRB1, ADRB2, ADRA1D ADRB2 2/4885ADRB1 1/4885CHRM2 13/4885
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments ADRB1, ADRB2, ADRA1D ADRB2 2/4885ADRB1 1/4885CHRM2 13/4885
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885CHRM2 11/4885
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885CHRM2 11/4885

“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.