SCHEMBL5120345

SCHEMBL5120345

CC(=O)ONS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.59
ADRB1 P08588 17/20 0.59
ADRB3 P13945 3/20 0.53
DRD2 P14416 2/20 0.52
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52

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
SCHEMBL5128001 0.99 ADRB2 (0.59) ADRB2ADRB1ADRB3DRD2DRD1
Acetic Acid SCHEMBL5120328 0.89 ADRB2 (0.65) ADRB2ADRB1ADRB3
SCHEMBL5115447 0.88 ADRB2 (0.67) ADRB2ADRB1ADRB3
SCHEMBL5115456 0.88 ADRB2 (0.67) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5127986 0.88 ADRB2 (0.62) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL5126828 0.87 ADRB2 (0.66) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL5126823 0.87 ADRB2 (0.66) ADRB2ADRB1ADRB3DRD2DRD1
Acetic Acid SCHEMBL4824545 0.86 ADRB2 (0.67) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5120379 0.84 ADRB2 (0.81) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5120334 0.84 ADRB2 (0.55) ADRB2ADRB1ADRB3DRD2DRD1

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 2 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 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 ADRB2 1/4885ADRB1 2/4885ADRB3 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.