SCHEMBL925026

SCHEMBL925026

OCc1cccc(SC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.52
CRBN Q96SW2 2/20 0.52
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ENPP2 Q13822 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CHRNA7 P36544 1/20 0.36
ALOX5 P09917 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
S1PR1 P21453 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL30288394 0.93 DDB1 (0.55) DDB1CRBNMAOAMAOBENPP2
SCHEMBL19277423 0.93 DDB1 (0.55) DDB1CRBNMAOAMAOBENPP2
SCHEMBL5213250 0.83 MAOA (0.42) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL5443011 0.81 AKR1B1 (0.43) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL5424014 0.81 DDB1 (0.37) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL2566062 0.80 HTR6 (0.54) MAOAMAOBOPRM1OPRK1KCNH2
SCHEMBL19890876 0.79 MAOA (0.55) DDB1CRBNMAOAMAOBATM
SCHEMBL2566058 0.79 PRMT6 (0.44) DDB1CRBNMAOAMAOBATM
SCHEMBL17221461 0.78 MAOA (0.50) DDB1CRBNMAOAMAOBPRSS1
SCHEMBL5637501 0.77 OPRM1 (0.48) DDB1CRBNOPRM1OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288793-B The Phenethanolamine derivative for the treatment of respiratory disease GLAXO GROUP LTD. (GB) 2015-09-23 CN disclosed
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
CN-101701006-B Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2014-03-05 CN disclosed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP disclosed
CN-103288793-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2013-09-11 CN 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
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
US-20060205790-A1 Medicinal arylethanolamine compounds GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
EP-1554264-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 US disclosed
WO-2004037807-A9 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2004-08-19 WO disclosed
EP-1425001-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-06-09 EP disclosed
WO-2004037807-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO 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-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB DDB1 2167/4885CRBN 4115/4885MAOA 654/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 DDB1 4641/4885CRBN 4509/4885MAOA 410/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 DDB1 4622/4885CRBN 3782/4885MAOA 280/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR DDB1 4582/4885CRBN 4195/4885MAOA 73/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 DDB1 4695/4885CRBN 4183/4885MAOA 136/4885

“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.