SCHEMBL5220306

SCHEMBL5220306

CC(C)(C)OC(=O)N(CC=O)C1CCC(c2ccc(F)cc2)CC1N1C[C@@H](F)C[C@H]1C#N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.37
KDM1A O60341 3/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FAP Q12884 6/20 0.35
DPP7 Q9UHL4 4/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL5217860 0.93 DPP4 (0.37) DPP4FAPDPP7DPP8DPP9
SCHEMBL5224584 0.93 DPP4 (0.37) DPP4FAPDPP7DPP8DPP9
SCHEMBL5221882 0.84 DPP4 (0.40) DPP4FAPDPP7DPP8
SCHEMBL5220299 0.75 DPP4 (0.45) DPP4FAPDPP7DPP8DPP9
SCHEMBL5217855 0.68 DPP4 (0.48) DPP4FAPDPP7DPP8DPP9
SCHEMBL5224577 0.67 DPP4 (0.47) DPP4FAPDPP7DPP8DPP9
SCHEMBL5216891 0.65 KDM1A (0.43) KDM1AHDAC8HDAC6
SCHEMBL19584853 0.61 KDM1A (0.58) KDM1AHDAC8HDAC6
SCHEMBL5221879 0.61 DPP4 (0.51) DPP4FAPDPP7DPP8DPP9
SCHEMBL5667975 0.61 DPP4 (0.51) DPP4FAPDPP7DPP8DPP9

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
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 DPP4 1/4885KDM1A 885/4885HDAC8 881/4885

“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.