SCHEMBL925784

SCHEMBL925784

OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(Cl)cc2Cl)ccc1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.86
ADRB1 P08588 13/20 0.86
ADRB3 P13945 13/20 0.86
SLC6A2 P23975 2/20 0.75
HTR2A P28223 2/20 0.75
SLC6A4 P31645 2/20 0.75
ADRA1A P35348 2/20 0.75
SLC6A3 Q01959 2/20 0.75
MLNR O43193 1/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
DRD1 P21728 1/20 0.75
PTGS2 P35354 1/20 0.75
MC3R P41968 1/20 0.75
PDE4D Q08499 1/20 0.75
SCN5A Q14524 1/20 0.75
GHSR Q92847 1/20 0.75
KDM4E B2RXH2 1/20 0.64
HTR1A P08908 1/20 0.64

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
Acetic Acid SCHEMBL925565 0.95 ADRB2 (0.87) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL927035 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL927668 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
Acetic Acid SCHEMBL927368 0.87 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
Acetic Acid SCHEMBL3844778 0.87 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL28044430 0.87 ADRB2 (0.85) ADRB2ADRB1ADRB3SLC6A2HTR2A
Vilanterol SCHEMBL15614685 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL928189 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
Vilanterol SCHEMBL29352123 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL17031687 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A

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 13 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
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.