Caprolactam

Caprolactam

SCHEMBL4708253

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

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP7 Q9UHL4 13/20 0.51
DPP8 Q6V1X1 14/20 0.47
KCNH2 Q12809 1/20 0.40

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 SCHEMBL1846964 0.86 DPP4 (0.50) DPP4DPP7DPP8KCNH2
Caprolactam SCHEMBL4710558 0.84 DPP4 (0.37) DPP4DPP7DPP8KCNH2
Caprolactam SCHEMBL388930 0.77 DPP4 (0.51) DPP4DPP7DPP8KCNH2
SCHEMBL5038119 0.68 DPP4 (1.00) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL5037166 0.68 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6025045 0.68 DPP4 (0.98) DPP4DPP7DPP8
SCHEMBL1846959 0.65 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL21067640 0.65 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL1394444 0.65 DPP4 (1.00) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL5043367 0.64 DPP4 (0.98) DPP4DPP7DPP8

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 3/4885DPP8 5/4885

“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.