SCHEMBL4613084

SCHEMBL4613084

COc1cc(CNC(=O)c2ccc(CNC(=O)Cc3cccc(C[C@@H](C)NC[C@H](O)c4ccc(-n5c(C)ccc5C)nc4)c3)cc2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.52
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL4613101 1.00 ADRB2 (0.52) ADRB2BCHEACHE
SCHEMBL4613866 0.95 ADRB2 (0.48) ADRB2BCHEACHE
SCHEMBL4614245 0.95 ADRB2 (0.48) ADRB2BCHEACHE
SCHEMBL5685792 0.95 ADRB2 (0.48) ADRB2BCHEACHE
SCHEMBL4613871 0.95 ADRB2 (0.48) ADRB2BCHEACHE
SCHEMBL4614250 0.95 ADRB2 (0.48) ADRB2BCHEACHE
SCHEMBL4864873 0.95 ADRB2 (0.54) ADRB2
SCHEMBL4864861 0.95 ADRB2 (0.54) ADRB2
SCHEMBL4613117 0.90 BCHE (0.43) ADRB2BCHEACHE
SCHEMBL4613112 0.90 BCHE (0.43) ADRB2BCHEACHE

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
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 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-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 ADRB2 176/4885BCHE 1576/4885ACHE 1344/4885

“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.