SCHEMBL5112971

SCHEMBL5112971

NS(=O)(=O)c1cccc(CCCCOCCCCCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 20/20 0.68
ADRB2 P07550 8/20 0.68
ADRB3 P13945 3/20 0.59

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
SCHEMBL5116588 0.88 ADRB1 (0.86) ADRB1ADRB2
Acetic Acid SCHEMBL5122650 0.85 ADRB1 (0.81) ADRB1ADRB2
Dimethylamine SCHEMBL6051759 0.80 ADRB1 (0.93) ADRB1ADRB2
SCHEMBL5115456 0.79 ADRB2 (0.67) ADRB1ADRB2ADRB3
SCHEMBL5115447 0.79 ADRB2 (0.67) ADRB1ADRB2ADRB3
SCHEMBL4627270 0.78 ADRB2 (0.64) ADRB1ADRB2ADRB3
SCHEMBL5126828 0.77 ADRB2 (0.66) ADRB1ADRB2ADRB3
SCHEMBL5126823 0.77 ADRB2 (0.66) ADRB1ADRB2ADRB3
SCHEMBL5127611 0.77 ADRB2 (0.44) ADRB1ADRB2ADRB3
SCHEMBL5122655 0.76 ADRB1 (0.66) ADRB1ADRB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US claimed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US claimed
EP-1525180-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-27 EP claimed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 WO claimed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 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 (1 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A ADRB1 2/4885ADRB2 1/4885ADRB3 6/4885

“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.