SCHEMBL925593

SCHEMBL925593

CC1(C)OCc2cc([C@@H](O)CNC(=O)O)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.41
NPC1 O15118 2/20 0.37
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
BLM P54132 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
HIF1A Q16665 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A2 P23975 1/20 0.34
THPO P40225 1/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL925596 1.00 ADRB2 (0.41) ADRB2NPC1CYP1A2ALDH1A1CYP2C9
SCHEMBL2831936 1.00 ADRB2 (0.41) ADRB2NPC1CYP1A2ALDH1A1CYP2C9
SCHEMBL28731919 0.91 NPC1 (0.37) ADRB2NPC1CYP1A2ALDH1A1CYP2C9
SCHEMBL15614743 0.85 ADRB2 (0.41) ADRB2NPC1ALDH1A1HIF1AADRB1
SCHEMBL13510949 0.85 ADRB2 (0.41) ADRB2NPC1ALDH1A1HIF1AADRB1
SCHEMBL28746933 0.82 ADRB2 (0.61) ADRB2CYP1A2CYP2C9TDP1TSHR
SCHEMBL3030894 0.82 ADRB2 (0.61) ADRB2CYP1A2CYP2C9TDP1TSHR
SCHEMBL4801268 0.81 ADRB3 (0.47) ADRB2MEN1KMT2AADRB3ADRA1D
SCHEMBL17660490 0.81 KMT2A (0.39) ADRB2CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL25708294 0.81 ADRB3 (0.47) ADRB2MEN1KMT2AADRB3ADRA1D

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735816-B Method for preparing chiral alcohol from ketone by using microchannel reactor 安徽德信佳生物医药有限公司 2022-04-19 CN claimed
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
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-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
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US 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 (2 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-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ADRB2 265/4885NPC1 1613/4885CYP1A2 161/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 ADRB2 18/4885NPC1 1578/4885CYP1A2 844/4885

“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.