SCHEMBL8364335

SCHEMBL8364335

O=CCN1C[C@@H](CF)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.34
BRD4 O60885 3/20 0.32
APEX1 P27695 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2034405 0.82 BRD4 (0.35) PER2BRD4APEX1BLM
SCHEMBL7744060 0.78 PER2 (0.37) PER2BRD4APEX1BLM
SCHEMBL2034969 0.78 PER2 (0.37) PER2BRD4APEX1BLM
SCHEMBL8364228 0.74 APEX1 (0.42) PER2BRD4APEX1BLM
SCHEMBL2560701 0.72 CHRM2 (0.49) PER2BRD4APEX1BLM
SCHEMBL2034085 0.69
SCHEMBL562480 0.69 APEX1 (0.38) PER2BRD4APEX1BLM
SCHEMBL562931 0.69 APEX1 (0.38) PER2BRD4APEX1BLM
SCHEMBL10033422 0.68 APEX1 (0.37) PER2BRD4APEX1BLM
SCHEMBL2031739 0.68 BRD4 (0.40) PER2BRD4APEX1BLM

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-20120035368-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES ABRECHT STEFAN (CH) 2012-02-09 US disclosed
US-20090163718-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (2 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-20090163718-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES DPP4, DPP7, DPP3 PER2 3210/4885BRD4 884/4885APEX1 1510/4885
US-20120035368-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES DPP4, DPP7, DPP3 PER2 3210/4885BRD4 884/4885APEX1 1510/4885

“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.