SCHEMBL5284540

SCHEMBL5284540

CC(=O)OCc1cc([C@@H](O)CNCCc2ccc(OCCOCc3cccc(C(=O)O)c3)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.54
ADRB3 P13945 10/20 0.54
ADRB1 P08588 9/20 0.54
CHRM3 P20309 1/20 0.47
ADRA1D P25100 1/20 0.47

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
SCHEMBL5284439 0.95 ADRB2 (0.51) ADRB2ADRB3ADRB1
SCHEMBL5284396 0.93 ADRB2 (0.49) ADRB2ADRB3ADRB1
SCHEMBL5281417 0.93 ADRB2 (0.59) ADRB2ADRB3ADRB1CHRM3ADRA1D
SCHEMBL5292017 0.92 ADRB2 (0.48) ADRB2ADRB3ADRB1CHRM3
Acetic Acid SCHEMBL5284537 0.91 ADRB2 (0.65) ADRB2ADRB3ADRB1ADRA1D
SCHEMBL5294673 0.90 ADRB2 (0.63) ADRB2ADRB3ADRB1ADRA1D
SCHEMBL5433298 0.90 ADRB2 (0.63) ADRB2ADRB3ADRB1ADRA1D
SCHEMBL5285968 0.90 ADRB2 (0.63) ADRB2ADRB3ADRB1ADRA1D
SCHEMBL5282962 0.90 ADRB2 (0.47) ADRB2ADRB3ADRB1CHRM3
SCHEMBL5279996 0.89 ADRB2 (0.51) ADRB2ADRB3ADRB1

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 ADRB2 85/4885ADRB3 67/4885ADRB1 148/4885

“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.