Caprolactam

Caprolactam

SCHEMBL4157306

O=C1C(CC(F)(F)F)C2CCCN12.O=C1CCCCCN1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
OR51E2 Q9H255 1/20 0.36
F2 P00734 10/20 0.32
PLAT P00750 1/20 0.31
PRSS1 P07477 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
MEN1 O00255 1/20 0.30
CDA P32320 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 SCHEMBL5033920 0.73 FKBP5 (0.36) FKBP5CRBNKDM4EGAAPOLB
Caprolactam SCHEMBL5740141 0.70 FKBP5 (0.52) FKBP5CRBNKDM4EGAAPOLB
Caprolactam SCHEMBL327157 0.69 FKBP5 (0.50) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL10586589 0.67 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL20885246 0.67 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL454341 0.67
SCHEMBL20670735 0.67 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL20885247 0.67 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL3132554 0.67 CRBN (0.94) FKBP5CRBNKDM4EGAAPOLB
Caprolactam SCHEMBL7989649 0.67 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
US-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 US disclosed
WO-2008040995-A9 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LTD (GB) 2008-12-31 WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO 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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor DPP4, DPP3, DPP7 FKBP5 1029/4885CRBN 4377/4885KDM4E 1911/4885

“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.