SCHEMBL22897328

SCHEMBL22897328

C[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 1.00
DPP8 Q6V1X1 6/20 0.49
DPP9 Q86TI2 3/20 0.49
P2RX7 Q99572 1/20 0.46
CYP8B1 Q9UNU6 1/20 0.46
DPP7 Q9UHL4 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43

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
SCHEMBL22897322 0.82 DPP4 (0.69) DPP4DPP8DPP9DPP7
SCHEMBL22897332 0.80 DPP4 (0.67) DPP4DPP8DPP9DPP7
SCHEMBL22897334 0.76 DPP4 (0.61) DPP4
SCHEMBL1911524 0.73 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL4502814 0.72 CCR1 (0.65) DPP4
SCHEMBL22897331 0.71 DPP4 (0.60) DPP4DPP8DPP9DPP7
SCHEMBL21253578 0.70 P2RX7 (0.70) DPP4DPP8DPP9P2RX7
SCHEMBL22897326 0.70 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL22897330 0.69 DPP4 (0.61) DPP4DPP8DPP9DPP7
SCHEMBL5747070 0.69 HPGD (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894794-B1 Substituted [1,2,4]triazolo[4,3-a]pyrazines as antidiabetics KING ABDULAZIZ UNIVERSITY (SA) 2021-01-19 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-10894794-B1 Substituted [1,2,4]triazolo[4,3-a]pyrazines as antidiabetics DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP9 6/4885

“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.