SCHEMBL5437108

SCHEMBL5437108

CC(=O)Oc1ccc(C(O)CNCCc2ccc(OCCOCc3cccc(S(=O)(=O)C4CCCC4)c3)cc2)cc1CO

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.58
ADRB1 P08588 20/20 0.58
ADRB3 P13945 20/20 0.58
CYP3A4 P08684 2/20 0.58
HTR1A P08908 2/20 0.58
CYP2D6 P10635 2/20 0.58
HTR1B P28222 2/20 0.58

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
SCHEMBL5277615 1.00 ADRB2 (0.58) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL5277610 0.90 ADRB2 (0.73) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL6155067 0.89 ADRB2 (0.71) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5281963 0.89 ADRB2 (0.71) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5280434 0.88 ADRB2 (0.51) ADRB2ADRB1ADRB3
SCHEMBL925573 0.88 ADRB2 (0.72) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5284583 0.86 ADRB2 (0.57) ADRB2ADRB1ADRB3
SCHEMBL5292149 0.85 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL5437980 0.85 ADRB2 (0.56) ADRB2ADRB1ADRB3HTR1AHTR1B
SCHEMBL5437983 0.85 ADRB2 (0.56) ADRB2ADRB1ADRB3HTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.