SCHEMBL4613112

SCHEMBL4613112

COc1ccc(CNC(=O)c2ccc(CNC(=O)Cc3ccc(CC(C)NC[C@H](O)c4ccc(-n5c(C)ccc5C)nc4)cc3)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADRB2 P07550 4/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL4613117 1.00 BCHE (0.43) BCHEACHESMN1; SMN2TDP1ALDH1A1
SCHEMBL5685792 0.94 ADRB2 (0.48) BCHEACHESMN1; SMN2TDP1ALDH1A1
SCHEMBL4614245 0.94 ADRB2 (0.48) BCHEACHESMN1; SMN2TDP1ALDH1A1
SCHEMBL4613871 0.94 ADRB2 (0.48) BCHEACHESMN1; SMN2TDP1ALDH1A1
SCHEMBL4614250 0.94 ADRB2 (0.48) BCHEACHESMN1; SMN2TDP1ALDH1A1
SCHEMBL4613866 0.94 ADRB2 (0.48) BCHEACHESMN1; SMN2TDP1ALDH1A1
SCHEMBL4613101 0.90 ADRB2 (0.52) BCHEACHEADRB2
SCHEMBL4613084 0.90 ADRB2 (0.52) BCHEACHEADRB2
SCHEMBL4615534 0.89 ADRB2 (0.43) ADRB2
SCHEMBL4615538 0.89 ADRB2 (0.43) 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 4 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
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 BCHE 1576/4885ACHE 1344/4885SMN1; SMN2 2010/4885

“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.