SCHEMBL5295604

SCHEMBL5295604

CC(=O)OCc1cc([C@@H](O)CNCCc2ccc(OCCOCc3cccc(NC(=O)c4cccnc4)c3)cc2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.48
ADRB3 P13945 15/20 0.48
ADRB1 P08588 15/20 0.48
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42

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
Acetic Acid SCHEMBL5295589 0.92 ADRB2 (0.58) ADRB2ADRB3ADRB1
SCHEMBL5285332 0.92 ADRB2 (0.56) ADRB2ADRB3ADRB1
SCHEMBL5287201 0.88 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL925832 0.88 ADRB2 (0.63) ADRB2ADRB3ADRB1
SCHEMBL925503 0.87 ADRB2 (0.61) ADRB2ADRB3ADRB1
SCHEMBL5280758 0.86 ADRB2 (0.50) ADRB2ADRB3ADRB1
SCHEMBL2580435 0.85 ADRB2 (0.60) ADRB2ADRB3ADRB1
SCHEMBL5284540 0.85 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL2202730 0.84 ADRB2 (0.58) ADRB2ADRB3ADRB1
SCHEMBL2207539 0.84 ADRB2 (0.58) 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.