SCHEMBL4862750

SCHEMBL4862750

OCc1cc([C@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
ADRB1 P08588 5/20 1.00
ADRA1D P25100 1/20 0.74

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
SCHEMBL4867697 1.00 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL4867689 1.00 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL5006903 1.00 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL4889035 1.00 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL8187091 0.89 ADRB2 (0.81) ADRB2ADRB1ADRA1D
SCHEMBL3843014 0.89 ADRB2 (0.90) ADRB2ADRB1ADRA1D
SCHEMBL3843009 0.89 ADRB2 (0.90) ADRB2ADRB1ADRA1D
SCHEMBL13617814 0.89 ADRB2 (0.90) ADRB2ADRB1ADRA1D
SCHEMBL13617622 0.86 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL14505292 0.85 ADRB2 (1.00) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7105701-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2006-09-12 US disclosed
US-20060183918-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-17 US disclosed
EP-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP disclosed
US-20050261338-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
US-20050209275-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-22 US disclosed
US-20040186080-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-09-23 US disclosed
US-6713651-B1 RESPIRATORY AND NERVOUS SYSTEM DISORDERS, PREMATURE LABOR THERAVANCE, INC. 2004-03-30 US disclosed
US-6683115-B2 A MULTIBINDING COMPOUND CONTAINING A LINKER AND A LIGAND, USEFUL FOR TREATING RESPIRATORY DISEASES SUCH AS ASTHMA AND CHRONIC BRONCHITIS, AND ARE ALSO USEFUL IN THE TREATMENT OF NERVOUS SYSTEM INJURY AND PREMATURE LABOR THERAVANCE, INC. 2004-01-27 US disclosed
US-6576793-B1 β2-adrenergic receptor agonists THERAVANCE, INC. 2003-06-10 US disclosed
US-20030087306-A1 Methods for identifying novel multimeric agents that modulate receptors THERAVANCE BIOPHARMA R&D IP, LLC 2003-05-08 US disclosed
US-20030087307-A1 Beta2-adrenergic receptor agonists ADVANCED MEDICINE, INC. 2003-05-08 US disclosed
US-6541669-B1 Multibinding amine compounds which are beta 2 adrenergic receptor agonists useful in treatment and prevention of respiratory diseases such as asthma, bronchitis THERAVANCE, INC. 2003-04-01 US disclosed
EP-1235787-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2002-09-04 EP disclosed
US-20020055651-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2002-05-09 US disclosed
WO-2001042193-A1 β2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2001-06-14 WO 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 (8 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-20040186080-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 9/4885
US-20050261338-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885
US-20020055651-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885
US-20050209275-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 9/4885
US-20030087307-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885
US-20060183918-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 9/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885

“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.