SCHEMBL5780428

SCHEMBL5780428

CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1cc2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
PREP P48147 1/20 0.53
DPP8 Q6V1X1 1/20 0.53
DPP9 Q86TI2 1/20 0.53
DPP7 Q9UHL4 1/20 0.53

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
SCHEMBL5779398 0.82 DPP4 (1.00) DPP4
SCHEMBL5779937 0.78 DPP4 (1.00) DPP4PREPDPP8DPP7
SCHEMBL5776005 0.75 DPP4 (0.70) DPP4
Hydrochloric Acid SCHEMBL5206490 0.74 DPP4 (0.97) DPP4
SCHEMBL5777395 0.74 DPP4 (1.00) DPP4
SCHEMBL2398449 0.74 DPP4 (0.73) DPP4
SCHEMBL5141562 0.73 DPP4 (1.00) DPP4
SCHEMBL5780468 0.72 DPP4 (0.78) DPP4
SCHEMBL5780268 0.72 DPP4 (1.00) DPP4
SCHEMBL5779698 0.72 DPP4 (0.81) DPP4PREP

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-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R DPP4 1/4885PREP 618/4885DPP8 7/4885

“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.