SCHEMBL4496128

SCHEMBL4496128

O=C(N[C@H]1CCC[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.62
CPB1 P15086 2/20 0.62
ALDH1A1 P00352 3/20 0.60
GAA P10253 1/20 0.60
CTSB P07858 3/20 0.60
CTSK P43235 3/20 0.60
CTSS P25774 2/20 0.60
CTSL P07711 2/20 0.57
TSHR P16473 1/20 0.54
EPHX1 P07099 1/20 0.54
CYP1A2 P05177 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL24515807 1.00 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL10007480 0.97 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL6200837 0.97 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL22204568 0.97 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL6200834 0.97 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL6082958 0.97 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL5345577 0.97 CASP3 (0.62) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL25391512 0.96 CASP3 (0.61) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL3063260 0.91 CPB1 (0.72) CASP3CPB1ALDH1A1GAACTSB
SCHEMBL10148184 0.91 CPB1 (0.72) CASP3CPB1ALDH1A1GAACTSB

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-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 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-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CASP3 1623/4885CPB1 1589/4885ALDH1A1 417/4885

“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.