SCHEMBL4869352

SCHEMBL4869352

OCc1cc(C(O)CNCc2ccc(CNCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 1.00
ADRA1D P25100 1/20 0.73
ADRB1 P08588 4/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
HIF1A Q16665 1/20 0.61
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL4872802 0.92 ADRB2 (1.00) ADRB2ADRA1DADRB1
SCHEMBL4866755 0.90 ADRB2 (1.00) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL15677514 0.83 ADRB2 (0.73) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL7723769 0.82 ADRB2 (1.00) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL4122824 0.82 ADRB2 (0.71) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL7724542 0.82 ADRB2 (1.00) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL11744855 0.82 ADRB2 (1.00) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL14220132 0.81 ADRB2 (0.78) ADRB2ADRA1DADRB1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11670656 0.81 ADRB2 (0.97) ADRB2ADRA1DADRB1CYP1A2CYP2D6
SCHEMBL28116854 0.81 ADRB2 (0.78) ADRB2ADRA1DADRB1CYP1A2CYP2D6

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 20 patents. 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
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-6919482-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2005-07-19 US disclosed
US-6916961-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2005-07-12 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-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 1/4885ADRA1D 9/4885ADRB1 2/4885
US-20050261338-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 10/4885ADRB1 2/4885
US-20020055651-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 10/4885ADRB1 2/4885
US-20050209275-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 9/4885ADRB1 2/4885
US-20030087307-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 10/4885ADRB1 2/4885
US-20060183918-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 9/4885ADRB1 2/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 10/4885ADRB1 2/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRA1D 10/4885ADRB1 2/4885

“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.