SCHEMBL6508986

SCHEMBL6508986

C#CC1CC[C@@H](C#N)N1C(=O)CN[C@H]1CC[C@H](Oc2cccc(C#N)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.68
DPP9 Q86TI2 2/20 0.68
DPP8 Q6V1X1 1/20 0.46
EPHX2 P34913 1/20 0.42
TNKS O95271 2/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ACSL1 P33121 1/20 0.38

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
SCHEMBL648354 1.00 DPP4 (0.68) DPP4DPP9DPP8EPHX2TNKS
SCHEMBL648877 0.89 DPP4 (0.60) DPP4DPP9DPP8
SCHEMBL648405 0.89 DPP4 (0.60) DPP4DPP9DPP8EPHX2TNKS
SCHEMBL645802 0.89 DPP4 (0.75) DPP4DPP9DPP8EPHX2
SCHEMBL650946 0.86 DPP4 (0.58) DPP4DPP9DPP8EPHX2SLC6A2
SCHEMBL646035 0.86 DPP4 (0.58) DPP4DPP9DPP8EPHX2SLC6A2
SCHEMBL647026 0.84 DPP4 (0.57) DPP4DPP9EPHX2
SCHEMBL6200971 0.84 DPP4 (0.61) DPP4DPP9DPP8EPHX2
SCHEMBL645893 0.84 DPP4 (0.61) DPP4DPP9DPP8EPHX2
SCHEMBL4704016 0.84 DPP4 (0.61) 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.