SCHEMBL925598

SCHEMBL925598

CC1(C)OCc2cc(N(CCO)C(=O)O)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL925103 0.85 HIF1A (0.32) HIF1AALDH1A1MAPT
SCHEMBL6189927 0.71 PTGS2 (0.38) ALDH1A1MAPT
SCHEMBL6155424 0.70 CYP4F2 (0.36)
SCHEMBL960318 0.70 MAPT (0.46) ALDH1A1MAPT
SCHEMBL12463708 0.70 SLC7A5 (0.47) HIF1A
SCHEMBL13018533 0.69 CTSB (0.42)
SCHEMBL23705275 0.69 NPC1 (0.41) ALDH1A1MAPT
SCHEMBL829418 0.68 GNG2 (0.40) ALDH1A1MAPT
SCHEMBL30563103 0.68 GNG2 (0.40) ALDH1A1MAPT
SCHEMBL23612464 0.68 GAA (0.37) ALDH1A1

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 56 patents — showing the first 20. 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-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
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
EP-2042168-A1 Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2039700-A2 Novel anti-inflammatory androstane derivatives Glaxo Group Limited (GB) 2009-03-25 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
EP-1366025-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
EP-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO disclosed
WO-2003035668-A2 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES -17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2003-05-01 WO disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 WO disclosed
WO-2002100879-A1 NOVEL ANTI-INFLAMMATORY 17.ALPHA.-HETEROCYCLIC-ESTERS OF 17.BETA.CARBOTHIOATE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002088167-A1 ANTI-INFLAMMATORY 17.BETA.-CARBOTHIOATE ESTER DERIVATIVES OF ANDROSTANE WITH A CYCLIC ESTER GROUP IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
WO-2002070490-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2002-09-12 WO disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 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 (3 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-20100009950-A1 SUBSTITUTED ETHANOLAMINES ADRA2C, ADRB2, ADRB3 HIF1A 3661/4885ALDH1A1 282/4885MAPT 2048/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 HIF1A 1388/4885ALDH1A1 2030/4885MAPT 1794/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 HIF1A 254/4885ALDH1A1 2524/4885MAPT 1201/4885

“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.