SCHEMBL5286408

SCHEMBL5286408

CC(=O)Oc1ccc([C@@H](O)CN[C@@H](C)Cc2ccc(OCCOCc3ccccc3)cc2)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.50
▸ ADRB3 P13945 13/20 0.50
▸ ADRB1 P08588 9/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SLC2A1 P11166 2/20 0.49
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ CASP6 P55212 1/20 0.45

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
SCHEMBL5433003 1.00 ADRB2 (0.50) ADRB2ADRB3ADRB1CYP2D6ADRA1D
SCHEMBL5389153 1.00 ADRB2 (0.50) ADRB2ADRB3ADRB1CYP2D6ADRA1D
Acetic Acid SCHEMBL5388441 0.88 ADRB2 (0.61) ADRB2ADRB3ADRB1CYP2D6ADRA1D
Acetic Acid SCHEMBL5286403 0.88 ADRB2 (0.61) ADRB2ADRB3ADRB1CYP2D6ADRA1D
SCHEMBL5280379 0.86 ADRB2 (0.57) ADRB2ADRB3ADRB1SLC2A1CASP3
SCHEMBL5282513 0.86 ADRB2 (0.57) ADRB2ADRB3ADRB1SLC2A1CASP3
SCHEMBL5437983 0.86 ADRB2 (0.56) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL5437980 0.86 ADRB2 (0.56) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4348119 0.84 ADRB3 (0.49) ADRB2ADRB3ADRB1CYP2D6ADRA1D
SCHEMBL2798250 0.84 ADRB3 (0.49) ADRB2ADRB3ADRB1CYP2D6ADRA1D

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.

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