SCHEMBL3751392

SCHEMBL3751392

CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H](C#N)C[C@@H]2C[C@@H]21)C1CC2CCC(C1)N2C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.42
BCL2 P10415 1/20 0.37
BECN1 Q14457 1/20 0.37
KDM4D Q6B0I6 3/20 0.36

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
SCHEMBL3738734 0.87 BCL2 (0.38) BCL2BECN1KDM4D
SCHEMBL3746198 0.83 BCL2 (0.45) BCL2BECN1KDM4D
SCHEMBL3744735 0.83 DPP4 (0.42) DPP4
Trifluoroacetic Acid SCHEMBL3742901 0.79 DPP4 (0.51) DPP4
SCHEMBL896532 0.78 DPP4 (0.49) DPP4
SCHEMBL13078897 0.72 ELOVL6 (0.42) DPP4
SCHEMBL3744361 0.72 ELOVL6 (0.42) DPP4
SCHEMBL3744329 0.71 DPP4 (0.38) DPP4
SCHEMBL13078895 0.71 DPP4 (0.38) DPP4
SCHEMBL3749602 0.70 DPP4 (0.53) DPP4

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885BCL2 4344/4885BECN1 3547/4885

“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.