SCHEMBL3755839

SCHEMBL3755839

C#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CC2CCC(C1)N2C(=O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.58
DPP8 Q6V1X1 1/20 0.58
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 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
Trifluoroacetic Acid SCHEMBL3747927 0.93 DPP4 (0.51) DPP4DPP8
SCHEMBL8092647 0.88 DPP4 (0.51) DPP4DPP8
SCHEMBL13045331 0.88 DPP4 (0.51) DPP4DPP8
SCHEMBL13045329 0.87 DPP4 (0.55) DPP4DPP8GAA
SCHEMBL13078719 0.87 DPP4 (0.55) DPP4DPP8GAA
Trifluoroacetic Acid SCHEMBL3740258 0.84 DPP4 (0.51) DPP4DPP8GAA
Trifluoroacetic Acid SCHEMBL3741051 0.83 DPP4 (0.46) DPP4DPP8
Trifluoroacetic Acid SCHEMBL3751115 0.81 DPP4 (0.46) DPP4DPP8
SCHEMBL7856846 0.78 DPP4 (0.62) DPP4DPP8
SCHEMBL896165 0.78 DPP4 (0.62) DPP4DPP8

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 3 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
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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 (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 1/4885DPP8 5/4885KDM4E 1818/4885

“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.