SCHEMBL10140418

SCHEMBL10140418

CC1CN(C(=O)C(C)(C)F)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.33
EPHX2 P34913 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12910028 0.84 DPP4 (0.36) PDK2EPHX2DPP4DPP8DPP7
SCHEMBL9963879 0.81 ALDH1A1 (0.34) ALDH1A1LMNAGAA
SCHEMBL21216559 0.79 PDK2 (0.31) PDK2
SCHEMBL10140407 0.79 FASN (0.35) PDK2DPP4DPP8DPP7ALDH1A1
SCHEMBL10140409 0.77 DPP4 (0.42) DPP4ALDH1A1LMNAGAA
SCHEMBL10119983 0.77
SCHEMBL20204150 0.76 GAA (0.42) DPP4DPP8DPP7ALDH1A1LMNA
SCHEMBL1463336 0.75 CHRNA4 (0.57)
SCHEMBL16573339 0.74 ALDH1A1 (0.31) ALDH1A1LMNAGAA
SCHEMBL18959867 0.74 CHRNB2 (0.35) DPP4DPP8DPP7ALDH1A1LMNA

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-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PDK2 653/4885EPHX2 1816/4885DPP4 2019/4885

“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.