SCHEMBL6507958

SCHEMBL6507958

C#CC1CC[C@@H](C#N)N1C(=O)CN[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)c(-c3ccncc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.55
DPP9 Q86TI2 2/20 0.55
DPP8 Q6V1X1 1/20 0.37
EPHX2 P34913 2/20 0.34

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
SCHEMBL649105 1.00 DPP4 (0.55) DPP4DPP9DPP8EPHX2
SCHEMBL647780 0.94 DPP4 (0.55) DPP4DPP9DPP8EPHX2
SCHEMBL648583 0.92 DPP4 (0.53) DPP4DPP9DPP8EPHX2
SCHEMBL4756036 0.92 DPP4 (0.53) DPP4DPP9DPP8EPHX2
SCHEMBL5479049 0.89 DPP4 (0.42) DPP4DPP9DPP8EPHX2
SCHEMBL647393 0.86 DPP4 (0.58) DPP4DPP9DPP8EPHX2
SCHEMBL647580 0.86 DPP4 (0.53) DPP4DPP9DPP8EPHX2
SCHEMBL647803 0.85 DPP4 (0.55) DPP4DPP9DPP8EPHX2
SCHEMBL648116 0.83 DPP4 (0.62) DPP4DPP9DPP8EPHX2
SCHEMBL647636 0.83 DPP4 (0.62) DPP4DPP9DPP8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 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-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DPP9 4/4885DPP8 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.