SCHEMBL14648461

SCHEMBL14648461

N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.63
CYP3A4 P08684 2/20 0.63
DPP8 Q6V1X1 2/20 0.63
DPP9 Q86TI2 2/20 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
SCHEMBL14664467 0.82 DPP4 (0.66) DPP4CYP3A4DPP8DPP9
SCHEMBL13563415 0.82 DPP4 (0.66) DPP4CYP3A4DPP8DPP9
SCHEMBL14648462 0.78 DPP4 (0.48) DPP4CYP3A4DPP8DPP9
SCHEMBL14136349 0.78 DPP4 (0.48) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL23752173 0.78 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL17131050 0.78 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
SCHEMBL7936708 0.78 DPP4 (0.76) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL12518855 0.78 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL2742680 0.78 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
SCHEMBL15149531 0.78 DPP4 (0.76) DPP4CYP3A4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150511-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE US LLC (US) 2015-10-06 US disclosed
US-9150511-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE US LLC (US) 2015-10-06 US disclosed
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2014-08-21 US disclosed
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2014-08-21 US disclosed
US-8748631-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE, LLC (US) 2014-06-10 US disclosed
US-8748631-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE, LLC (US) 2014-06-10 US disclosed
US-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2013-01-24 US disclosed
US-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2013-01-24 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 (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-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 DPP4 1/4885CYP3A4 38/4885DPP8 3/4885
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 DPP4 1/4885CYP3A4 38/4885DPP8 3/4885

“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.