SCHEMBL5445909

SCHEMBL5445909

NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(COC=O)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.84
ADRB1 P08588 19/20 0.84
ADRB3 P13945 19/20 0.84

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
Formic Acid SCHEMBL5445906 0.91 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL5455579 0.91 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL5453864 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL5453873 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL5447989 0.84 ADRB2 (0.82) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5447980 0.82 ADRB2 (0.95) ADRB2ADRB1ADRB3
SCHEMBL5450800 0.82 ADRB2 (0.95) ADRB2ADRB1ADRB3
SCHEMBL5445686 0.82 ADRB2 (0.82) ADRB2ADRB1ADRB3
SCHEMBL5445688 0.82 ADRB2 (0.82) ADRB2ADRB1ADRB3
SCHEMBL5471417 0.81 ADRB2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 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 (2 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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885

“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.