SCHEMBL5422331

SCHEMBL5422331

NC(=O)c1cccc(COCCOCc2cccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.63
ADRB1 P08588 16/20 0.63
ADRB3 P13945 16/20 0.63
ADRA1D P25100 1/20 0.56

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
SCHEMBL5422340 1.00 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5430036 0.97 ADRB2 (0.61) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5430030 0.97 ADRB2 (0.61) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5428026 0.95 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5428019 0.95 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5278262 0.92 ADRB2 (0.59) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5278274 0.92 ADRB2 (0.59) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5434303 0.91 ADRB2 (0.61) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5434294 0.91 ADRB2 (0.61) ADRB2ADRB1ADRB3ADRA1D
Hydrochloric Acid SCHEMBL5385274 0.91 ADRB2 (0.59) ADRB2ADRB1ADRB3ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US claimed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP claimed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO claimed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885

“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.