Caprolactam

Caprolactam

SCHEMBL4145590

N/C(=C/C(=O)C12CCCN1C(=O)C2CC(F)(F)F)Cc1cc(F)c(F)cc1F.O=C1CCCCCN1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.38
DPP8 Q6V1X1 9/20 0.38
DPP7 Q9UHL4 8/20 0.38
DPP9 Q86TI2 1/20 0.32
KCNH2 Q12809 1/20 0.31

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 SCHEMBL4152650 0.86 DPP4 (0.37) DPP4DPP8DPP7
Caprolactam SCHEMBL388930 0.83 DPP4 (0.51) DPP4DPP8DPP7DPP9KCNH2
Caprolactam SCHEMBL1846964 0.71 DPP4 (0.50) DPP4DPP8DPP7KCNH2
SCHEMBL4145594 0.67 DPP4 (0.65) DPP4DPP8DPP7KCNH2
SCHEMBL4145585 0.67 DPP4 (0.65) DPP4DPP8DPP7KCNH2
Caprolactam SCHEMBL4157306 0.58 FKBP5 (0.42) DPP4DPP8
SCHEMBL749408 0.58 HDAC1 (0.35) DPP4DPP8DPP7DPP9
SCHEMBL30136575 0.58 HDAC1 (0.35) DPP4DPP8DPP7DPP9
SCHEMBL749409 0.58 HDAC1 (0.35) DPP4DPP8DPP7DPP9
SCHEMBL749410 0.58 HDAC1 (0.35) DPP4DPP8DPP7DPP9

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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.