SCHEMBL4614245

SCHEMBL4614245

COc1ccc(CNC(=O)c2ccc(CNC(=O)Cc3cccc(CC(C)NC[C@H](O)c4ccc(-n5c(C)ccc5C)nc4)c3)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.48
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL5685792 1.00 ADRB2 (0.48) ADRB2BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL4613871 1.00 ADRB2 (0.48) ADRB2BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL4613866 1.00 ADRB2 (0.48) ADRB2BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL4614250 1.00 ADRB2 (0.48) ADRB2BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL4613101 0.95 ADRB2 (0.52) ADRB2BCHEACHE
SCHEMBL4613084 0.95 ADRB2 (0.52) ADRB2BCHEACHE
SCHEMBL4613117 0.94 BCHE (0.43) ADRB2BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL4613112 0.94 BCHE (0.43) ADRB2BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL4615078 0.94 ADRB2 (0.50) ADRB2SMN1; SMN2ALDH1A1TDP1
SCHEMBL4615081 0.94 ADRB2 (0.50) ADRB2SMN1; SMN2ALDH1A1TDP1

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
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
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 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-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.