SCHEMBL5281502

SCHEMBL5281502

OCc1cc([C@@H](O)CNCCc2ccc(OCCCCc3ccccc3)cc2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.77
ADRB1 P08588 9/20 0.75
ADRA1D P25100 2/20 0.75
ADRB3 P13945 2/20 0.75
KDM4E B2RXH2 1/20 0.75
HTR1A P08908 1/20 0.75
CHRM5 P08912 1/20 0.75
DRD2 P14416 1/20 0.75
ADRA2B P18089 1/20 0.75
DRD4 P21917 1/20 0.75
SLC6A2 P23975 1/20 0.75
FPR3 P25089 1/20 0.75
HTR1D P28221 1/20 0.75
HTR1B P28222 1/20 0.75
HTR2A P28223 1/20 0.75
HTR2C P28335 1/20 0.75
SLC6A4 P31645 1/20 0.75
GPR183 P32249 1/20 0.75
HTR7 P34969 1/20 0.75
ADRA1A P35348 1/20 0.75

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
SCHEMBL6155697 1.00 ADRB2 (0.77) ADRB2ADRB1ADRA1DADRB3KDM4E
Acetic Acid SCHEMBL5285359 0.95 ADRB2 (0.70) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5280471 0.92 ADRB2 (0.66) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5286721 0.91 ADRB2 (0.65) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5284514 0.91 ADRB2 (0.65) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5430614 0.90 ADRB2 (0.74) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5430606 0.90 ADRB2 (0.74) ADRB2ADRB1ADRA1DADRB3KDM4E
Acetic Acid SCHEMBL5290813 0.90 ADRB2 (0.68) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5283134 0.89 ADRB2 (0.62) ADRB2ADRB1ADRA1DADRB3KDM4E
SCHEMBL5283123 0.89 ADRB2 (0.62) ADRB2ADRB1ADRA1DADRB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP claimed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US claimed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US claimed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP claimed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO claimed
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 148/4885ADRA1D 389/4885

“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.