SCHEMBL741704

SCHEMBL741704

O=c1ccc2c([C@@H](O)CNCc3ccccc3)ccc(O)c2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.76
ADRB1 P08588 12/20 0.76
ADRA1D P25100 1/20 0.62

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
SCHEMBL19770222 0.89 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL17074686 0.88 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL17074667 0.88 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL17074665 0.88 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL13897351 0.88 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL17074688 0.88 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL19971019 0.88 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL19970996 0.87 ADRB2 (0.63) ADRB2ADRB1ADRA1D
SCHEMBL19971024 0.85 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL19971022 0.85 ADRB2 (0.60) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity Theravance Respiratory Compa, LLC 2017-12-21 US disclosed
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity Theravance Respiratory Compa, LLC 2017-12-21 US disclosed
US-9771350-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2017-09-26 US disclosed
US-9771350-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2017-09-26 US disclosed
US-20170226082-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2017-08-10 US disclosed
US-20160361304-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE BIOPHARMA R&D IP, LLC 2016-12-15 US disclosed
US-9394275-B2 Diamide compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2016-07-19 US disclosed
US-20150274697-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-10-01 US disclosed
US-9000173-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-04-07 US disclosed
US-20140323733-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE RESPIRATORY COMPANY, LLC (US) 2014-10-30 US disclosed
US-8816088-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2014-08-26 US disclosed
US-8551978-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2013-10-08 US disclosed
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2013-05-30 US disclosed
US-8138345-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2012-03-20 US disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 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 (10 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-20160361304-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRA2A, ADRA2B ADRB2 1/4885ADRB1 4/4885ADRA1D 10/4885
US-20170226082-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 6/4885
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-20140323733-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885
US-20150274697-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRA1D 8/4885

“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.