SCHEMBL12394661

SCHEMBL12394661

CCc1cnc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.71
▸ DPP8 Q6V1X1 11/20 0.71
▸ DPP7 Q9UHL4 3/20 0.71
▸ DPP9 Q86TI2 2/20 0.49

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
SCHEMBL1071184 0.84 DPP4 (0.98) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL6915483 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL12767550 0.82 DPP4 (0.78) DPP4DPP8DPP7DPP9
SCHEMBL13593625 0.80 DPP4 (0.84) DPP4DPP8DPP7DPP9
SCHEMBL8362759 0.79 DPP4 (0.66) DPP4DPP8DPP7DPP9
SCHEMBL1509247 0.79 DPP4 (0.71) DPP4DPP8DPP7DPP9
SCHEMBL7061963 0.79 DPP4 (0.71) DPP4DPP8DPP7DPP9
SCHEMBL2667453 0.78 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL15024075 0.78 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL12767535 0.77 DPP4 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2020-07-02 — — US disclosed
US-20110190308-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US disclosed
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders MERCK & CO., INC. (US) 2008-05-29 — — US disclosed
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders MERCK & CO., INC. (US) 2008-05-29 — — 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 (3 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-20110190308-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP7 3/4885
US-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 DPP4 158/4885DPP8 378/4885DPP7 263/4885

“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.

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