SCHEMBL464682

SCHEMBL464682

O=C(O)CNC(=O)CNC(=O)CNC(=O)[C@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.51
PRCP P42785 3/20 0.50
HTR2C P28335 5/20 0.44
HTR2B P41595 3/20 0.44
KDM4E B2RXH2 1/20 0.41
TLR2 O60603 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
CTSC P53634 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 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
SCHEMBL10788824 1.00 TERT (0.51) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL30481218 1.00 TERT (0.51) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL31142126 1.00 TERT (0.51) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL10788841 1.00 TERT (0.51) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL620067 0.93 PRCP (0.55) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL620066 0.93 PRCP (0.55) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL8789170 0.93 PRCP (0.55) TERTPRCPHTR2CHTR2BKDM4E
SCHEMBL6372058 0.88 PRCP (0.50) TERTPRCPHTR2CHTR2BKDM4E
Glycine SCHEMBL2933526 0.87 PRCP (0.50) TERTPRCPHTR2CHTR2BKDM4E
Trifluoroacetic Acid SCHEMBL19209820 0.84 HTR2C (0.48) TERTPRCPHTR2CHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408802-B1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME GOVERNING COUNCIL UNIV TORONTO (CA) 2017-05-03 EP disclosed
US-9260479-B2 Cyclic amino acid molecules and methods of preparing the same THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-02-16 US disclosed
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 TERT 3443/4885PRCP 336/4885HTR2C 3716/4885

“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.