SCHEMBL926475

SCHEMBL926475

OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(I)cc2)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 0.69
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 SCHEMBL925154 0.94 ADRB2 (0.85) ADRB2ADRB1ADRB3
SCHEMBL925161 0.93 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL927668 0.90 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL925758 0.90 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL925409 0.90 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL925063 0.89 ADRB2 (0.84) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL28044430 0.88 ADRB2 (0.85) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL926910 0.87 ADRB2 (0.82) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL925890 0.87 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL925889 0.87 ADRB2 (1.00) ADRB2ADRB1ADRB3

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 12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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.