SCHEMBL5493904

SCHEMBL5493904

CC1Cn2c(nnc2C(F)(F)F)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 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 12/20 1.00
DPP9 Q86TI2 8/20 1.00
DPP7 Q9UHL4 6/20 1.00
ACE P12821 1/20 0.68
HTR2A P28223 1/20 0.68
FAP Q12884 1/20 0.68

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
SCHEMBL14350044 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL14350045 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL5496951 0.90 DPP4 (0.82) DPP4DPP8DPP9DPP7ACE
SCHEMBL5497640 0.82 DPP4 (0.74) DPP4DPP8DPP9DPP7ACE
SCHEMBL5491372 0.81 DPP4 (0.69) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1289311 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL19520418 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL31513245 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL174489 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 US disclosed
US-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 US 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
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
US-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2005-05-19 US 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

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-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 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 1/4885DPP8 6/4885DPP9 14/4885

“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.