Caprolactam

Caprolactam

SCHEMBL5033920

O=C1C(Cn2cccn2)C2CCCN12.O=C1CCCCCN1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.36
CRBN Q96SW2 1/20 0.36
F2 P00734 11/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
PRCP P42785 1/20 0.31
OR51E2 Q9H255 1/20 0.31
KMT2A Q03164 1/20 0.31
PLAT P00750 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSD P07339 1/20 0.30
IKZF2 Q9UKS7 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
Caprolactam SCHEMBL4157306 0.73 FKBP5 (0.42) FKBP5CRBNF2KDM4EGAA
Caprolactam SCHEMBL5740141 0.65 FKBP5 (0.52) FKBP5CRBNF2KDM4EGAA
Caprolactam SCHEMBL17986693 0.64 CRBN (0.80) FKBP5CRBNKDM4EGAAPOLB
Caprolactam SCHEMBL327157 0.64 FKBP5 (0.50) FKBP5CRBNF2KDM4EGAA
Caprolactam SCHEMBL27637449 0.62 CRBN (0.76) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL20670735 0.62 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL20885246 0.62 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL10586589 0.62 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL20589476 0.62 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL20885247 0.62 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB

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-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 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-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 FKBP5 1426/4885CRBN 4321/4885F2 1128/4885

“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.