SCHEMBL5038119

SCHEMBL5038119

CC1CCNC(=O)CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 12/20 1.00
DPP8 Q6V1X1 12/20 0.63

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
Hydrochloric Acid SCHEMBL6025045 0.99 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL5037166 0.99 DPP4 (0.98) DPP4DPP7DPP8
SCHEMBL29196920 0.79 DPP4 (0.87) DPP4DPP7DPP8
SCHEMBL29196918 0.79 DPP4 (0.87) DPP4DPP7DPP8
SCHEMBL21067640 0.77 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL1394444 0.77 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL1846959 0.77 DPP4 (1.00) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL5043367 0.76 DPP4 (0.98) DPP4DPP7DPP8
SCHEMBL12189895 0.75 DPP4 (0.89) DPP4DPP7DPP8
SCHEMBL17877580 0.75 DPP4 (0.89) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
EP-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
EP-1684786-A4 ENHANCEMENT OF GROWTH HORMONE LEVELS WITH A DIPEPTIDYL PEPTIDASE IV INHIBITOR AND A GROWTH HORMONE SECRETAGOGUE MERCK & CO INC (US) 2007-12-12 EP disclosed
US-20070123470-A1 Enhancement of growth hormone levels with a dipeptidyl peptidase IV inhibitor and a growth hormone secretagogue MERCK & CO., INC. 2007-05-31 US disclosed
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
EP-1684786-A1 ENHANCEMENT OF GROWTH HORMONE LEVELS WITH A DIPEPTIDYL PEPTIDASE IV INHIBITOR AND A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 2006-08-02 EP disclosed
WO-2005042003-A1 ENHANCEMENT OF GROWTH HORMONE LEVELS WITH A DIPEPTIDYL PEPTIDASE IV INHIBITOR AND A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 2005-05-12 WO disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 US disclosed
WO-2004037169-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-06 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 (2 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-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20070123470-A1 Enhancement of growth hormone levels with a dipeptidyl peptidase IV inhibitor and a growth hormone secretagogue DPP4, DPP3, GHSR DPP4 1/4885DPP7 7/4885DPP8 6/4885

“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.