SCHEMBL925963

SCHEMBL925963

CC(=O)OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.71
ADRB1 P08588 20/20 0.71
ADRB3 P13945 20/20 0.71
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2D6 P10635 1/20 0.57
HTR1B P28222 1/20 0.57

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
SCHEMBL927522 0.94 ADRB2 (0.70) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL925962 0.92 ADRB2 (0.84) ADRB2ADRB1ADRB3
SCHEMBL926481 0.91 ADRB2 (0.83) ADRB2ADRB1ADRB3
SCHEMBL926936 0.91 ADRB2 (0.83) ADRB2ADRB1ADRB3
SCHEMBL924934 0.91 ADRB2 (0.83) ADRB2ADRB1ADRB3
SCHEMBL925106 0.90 ADRB2 (0.81) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL925107 0.90 ADRB2 (0.81) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL925164 0.89 ADRB2 (0.80) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL926097 0.88 ADRB2 (0.82) ADRB2ADRB1ADRB3
SCHEMBL4809560 0.87 ADRB2 (0.72) ADRB2ADRB1ADRB3CYP3A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP disclosed
US-8198483-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2012-06-12 US disclosed
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-7982067-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2011-07-19 US disclosed
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
US-7776895-B2 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
EP-2042168-A1 Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases Glaxo Group Limited (GB) 2009-04-01 EP disclosed
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
EP-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-7439393-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-7361787-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-04-22 US disclosed
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 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-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 125/4885ADRB3 139/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB ADRB2 53/4885ADRB1 101/4885ADRB3 104/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ADRB2 265/4885ADRB1 806/4885ADRB3 456/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 ADRB2 18/4885ADRB1 37/4885ADRB3 36/4885

“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.