Caprolactam

Caprolactam

SCHEMBL4710558

C[C@@H]1CCC2(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N12.O=C1CCCCCN1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.37
DPP7 Q9UHL4 8/20 0.37
KCNH2 Q12809 1/20 0.34
DPP8 Q6V1X1 8/20 0.34
SCN9A Q15858 4/20 0.32
REN P00797 2/20 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 SCHEMBL4708253 0.84 DPP4 (0.51) DPP4DPP7KCNH2DPP8
SCHEMBL8255180 0.71 DPP4 (0.63) DPP4DPP7KCNH2DPP8
Caprolactam SCHEMBL1846964 0.70 DPP4 (0.50) DPP4DPP7KCNH2DPP8
SCHEMBL5132612 0.70 DPP4 (0.41) DPP4DPP7KCNH2DPP8
SCHEMBL5041276 0.70 DPP4 (0.66) DPP4DPP7KCNH2DPP8
SCHEMBL29196909 0.69 DPP4 (0.55) DPP4DPP7KCNH2DPP8
SCHEMBL30786697 0.69 DPP4 (0.55) DPP4DPP7KCNH2DPP8
SCHEMBL19500634 0.68 DPP4 (0.43) DPP4KCNH2
SCHEMBL344600 0.68 DPP4 (0.43) DPP4
SCHEMBL344599 0.68 DPP4 (0.43) DPP4

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-1651623-B1 HEXAHYDRODIAZEPINONES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-17 EP disclosed
US-7259160-B2 Hexahydrodiazepinones as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-20060211682-A1 Hexahydrodiazepinones as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-09-21 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-20060211682-A1 Hexahydrodiazepinones as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885KCNH2 1629/4885

“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.