SCHEMBL10140409

SCHEMBL10140409

CC1CN(C(=O)C(C)(C)N)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL12424407 0.84 DPP4 (0.41) DPP4ALDH1A1LMNAGAAHPGD
SCHEMBL17177167 0.84 DPP4 (0.41) DPP4ALDH1A1LMNAGAAHPGD
SCHEMBL9963879 0.81 ALDH1A1 (0.34) ALDH1A1LMNAGAAHPGDCHRNB2
SCHEMBL14654951 0.81 ALDH1A1 (0.53) DPP4ALDH1A1LMNAGAAHPGD
SCHEMBL13211815 0.81 ALDH1A1 (0.53) DPP4ALDH1A1LMNAGAAHPGD
SCHEMBL25530336 0.79 DPP4 (0.38) DPP4GRM2ATM
SCHEMBL25530338 0.79 DPP4 (0.38) DPP4GRM2ATM
SCHEMBL10140407 0.79 FASN (0.35) DPP4ALDH1A1LMNAGAACHRNB2
SCHEMBL15841239 0.78 ALDH1A1 (0.47) DPP4ALDH1A1LMNAGAAHPGD
SCHEMBL10140418 0.77 PDK2 (0.33) DPP4ALDH1A1LMNAGAA

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 DPP4 2019/4885ALDH1A1 4331/4885LMNA 3324/4885

“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.