SCHEMBL5287515

SCHEMBL5287515

CC(=O)Oc1ccc([C@@H](O)CNCCc2ccc(OCCOCc3ccc(O)cc3)cc2)cc1CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.52
ADRB1 P08588 10/20 0.52
ADRB3 P13945 4/20 0.52
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC22A1 O15245 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 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
SCHEMBL5437983 0.94 ADRB2 (0.56) ADRB2ADRB1ADRB3SLC6A4SLC6A3
SCHEMBL5437980 0.94 ADRB2 (0.56) ADRB2ADRB1ADRB3SLC6A4SLC6A3
SCHEMBL5280018 0.93 ADRB2 (0.50) ADRB2ADRB1ADRB3
SCHEMBL5285826 0.93 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL5284583 0.92 ADRB2 (0.57) ADRB2ADRB1ADRB3
SCHEMBL5292149 0.89 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL5283191 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL5421813 0.89 ADRB3 (0.53) ADRB2ADRB1ADRB3
SCHEMBL5283600 0.89 ADRB3 (0.53) ADRB2ADRB1ADRB3
SCHEMBL5278128 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3

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 85/4885ADRB1 148/4885ADRB3 67/4885

“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.