SCHEMBL5283600

SCHEMBL5283600

CC(=O)Oc1ccc([C@@H](O)CNCCc2ccc(OCCOCc3cccc(Cl)c3)cc2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.53
ADRB1 P08588 13/20 0.53
ADRB2 P07550 5/20 0.50

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
SCHEMBL5421813 1.00 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL5284583 0.92 ADRB2 (0.57) ADRB3ADRB1ADRB2
SCHEMBL5292149 0.91 ADRB2 (0.49) ADRB3ADRB1ADRB2
SCHEMBL5437980 0.91 ADRB2 (0.56) ADRB3ADRB1ADRB2
SCHEMBL5437983 0.91 ADRB2 (0.56) ADRB3ADRB1ADRB2
SCHEMBL5278128 0.91 ADRB2 (0.48) ADRB3ADRB1ADRB2
SCHEMBL5283191 0.91 ADRB2 (0.48) ADRB3ADRB1ADRB2
SCHEMBL5294024 0.90 ADRB1 (0.56) ADRB3ADRB1ADRB2
SCHEMBL5287515 0.89 ADRB2 (0.52) ADRB3ADRB1ADRB2
Acetic Acid SCHEMBL5283598 0.88 ADRB2 (0.65) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD ADRB3 67/4885ADRB1 148/4885ADRB2 85/4885

“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.