SCHEMBL4864873

SCHEMBL4864873

COc1cc(CNC(=O)Cc2cccc(CC(C)NC[C@@H](O)c3ccc(-n4c(C)ccc4C)nc3)c2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.54
CHRM3 P20309 1/20 0.40

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
SCHEMBL4864861 1.00 ADRB2 (0.54) ADRB2CHRM3
SCHEMBL4613084 0.95 ADRB2 (0.52) ADRB2
SCHEMBL4613101 0.95 ADRB2 (0.52) ADRB2
SCHEMBL4615081 0.92 ADRB2 (0.50) ADRB2
SCHEMBL4615078 0.92 ADRB2 (0.50) ADRB2
SCHEMBL4614250 0.90 ADRB2 (0.48) ADRB2
SCHEMBL4614245 0.90 ADRB2 (0.48) ADRB2
SCHEMBL5685792 0.90 ADRB2 (0.48) ADRB2
SCHEMBL4613866 0.90 ADRB2 (0.48) ADRB2
SCHEMBL4613871 0.90 ADRB2 (0.48) ADRB2

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
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 ADRB2 176/4885CHRM3 325/4885

“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.