SCHEMBL925758

SCHEMBL925758

Cc1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 1.00
ADRB3 P13945 14/20 0.86
ADRB1 P08588 14/20 0.86
SLC6A2 P23975 2/20 0.69
HTR2A P28223 2/20 0.69
SLC6A4 P31645 2/20 0.69
ADRA1A P35348 2/20 0.69
SLC6A3 Q01959 2/20 0.69
KDM4E B2RXH2 1/20 0.69
HTR1A P08908 1/20 0.69
CHRM5 P08912 1/20 0.69
DRD2 P14416 1/20 0.69
ADRA2B P18089 1/20 0.69
DRD4 P21917 1/20 0.69
FPR3 P25089 1/20 0.69
ADRA1D P25100 1/20 0.69
HTR1D P28221 1/20 0.69
HTR1B P28222 1/20 0.69
HTR2C P28335 1/20 0.69
GPR183 P32249 1/20 0.69

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 SCHEMBL927106 0.95 ADRB2 (1.00) ADRB2ADRB3ADRB1
SCHEMBL925161 0.93 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL4455617 0.92 ADRB2 (0.85) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL926298 0.92 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL927668 0.90 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL926475 0.90 ADRB2 (0.86) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL925409 0.90 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL28044430 0.88 ADRB2 (0.85) ADRB2ADRB3ADRB1SLC6A2HTR2A
Acetic Acid SCHEMBL927939 0.88 ADRB2 (1.00) ADRB2ADRB3ADRB1
Acetic Acid SCHEMBL926610 0.87 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A2HTR2A

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 15 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
EP-1425001-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-06-09 EP disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 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 (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 89/4885ADRB3 139/4885ADRB1 125/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB ADRB2 53/4885ADRB3 104/4885ADRB1 101/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ADRB2 265/4885ADRB3 456/4885ADRB1 806/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB3 128/4885ADRB1 192/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 ADRB2 18/4885ADRB3 36/4885ADRB1 37/4885

“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.