SCHEMBL4826619

SCHEMBL4826619

NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)CC(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.72
▸ DPP8 Q6V1X1 10/20 0.69
▸ DPP9 Q86TI2 2/20 0.67
▸ DPP7 Q9UHL4 2/20 0.67
▸ ACE P12821 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ FAP Q12884 1/20 0.67

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
SCHEMBL15042309 0.83 DPP4 (0.85) DPP4DPP8DPP9DPP7ACE
SCHEMBL1260926 0.82 DPP4 (0.94) DPP4DPP8DPP9DPP7ACE
SCHEMBL25937810 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL29421658 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL174489 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL29365085 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL19520418 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL31513245 0.81 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL1262853 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326708-B2 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK & CO., INC. (US) 2008-02-05 — — US disclosed
US-20050032804-A1 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK SHARP & DOHME LLC 2005-02-10 — — 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-20050032804-A1 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor DPP4, DPP7, DPP3 DPP4 1/4885DPP8 4/4885DPP9 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.

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