SCHEMBL464681

SCHEMBL464681

CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.55
FAP Q12884 6/20 0.55
DPP4 P27487 5/20 0.55
F2 P00734 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRSS1 P07477 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL30439280 0.87 PREP (0.56) PREPFAPDPP4F2NPSR1
SCHEMBL4327210 0.87 FAP (0.41) PREPFAPDPP4F2NPSR1
SCHEMBL4330609 0.87 FAP (0.41) PREPFAPDPP4F2NPSR1
SCHEMBL20908682 0.85 F2 (0.48) PREPFAPDPP4F2NPSR1
SCHEMBL30493625 0.85 DPP4 (0.60) PREPFAPDPP4
SCHEMBL1046072 0.84 DPP4 (0.46) PREPFAPDPP4F2NPSR1
SCHEMBL1046070 0.84 DPP4 (0.46) PREPFAPDPP4F2NPSR1
SCHEMBL13012657 0.82 FAP (0.56) PREPFAPDPP4F2P2RX7
SCHEMBL28913603 0.81 FAP (0.61) PREPFAPDPP4F2
SCHEMBL11515849 0.81 F2 (0.40) PREPFAPDPP4F2NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-15 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-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME DNPEP, ANPEP, BCAT1 PREP 35/4885FAP 148/4885DPP4 968/4885

“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.