SCHEMBL10033422

SCHEMBL10033422

CC(=O)CC(=O)CN1C[C@@H](CF)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
BRD4 O60885 3/20 0.35
PER2 O15055 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL562480 0.86 APEX1 (0.38) APEX1BLMBRD4PER2TP53
SCHEMBL562931 0.86 APEX1 (0.38) APEX1BLMBRD4PER2TP53
SCHEMBL8364228 0.79 APEX1 (0.42) APEX1BLMBRD4PER2TP53
SCHEMBL8365831 0.79 FAAH (0.39) BRD4L3MBTL1
SCHEMBL563087 0.75 GSK3A (0.41) APEX1BLMBRD4
SCHEMBL563088 0.75 GSK3A (0.41) APEX1BLMBRD4
SCHEMBL563180 0.74 ALDH1A1 (0.45) TP53L3MBTL1
SCHEMBL2034969 0.73 PER2 (0.37) APEX1BLMBRD4PER2POLB
SCHEMBL7744060 0.73 PER2 (0.37) APEX1BLMBRD4PER2POLB
SCHEMBL8364335 0.68 PER2 (0.34) APEX1BLMBRD4PER2

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-8420818-B2 Process for the preparation of pyrido[2,1-a] isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-20120035368-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES ABRECHT STEFAN (CH) 2012-02-09 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-20120035368-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES DPP4, DPP7, DPP3 APEX1 1510/4885BLM 917/4885BRD4 884/4885

“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.