SCHEMBL3040925

SCHEMBL3040925

CN(C)C(=O)COC1CCC(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.33
CD38 P28907 3/20 0.32
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL3040923 1.00 SMYD3 (0.33) SMYD3CD38PDK2KDM4ECYP11B1
SCHEMBL14759114 0.84 EPHX1 (0.36) CD38PDK2KDM4ECYP11B1CYP11B2
SCHEMBL14759093 0.82 EPHX1 (0.39) CD38SMN1; SMN2ALDH1A1
SCHEMBL15724863 0.80 SMYD3 (0.35) SMYD3
SCHEMBL77050 0.79 CD38 (0.34) CD38PDK2KDM4ECYP11B1CYP11B2
SCHEMBL18502887 0.78 CHRM3 (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL18502850 0.78 CD38 (0.38) CD38PDK2CYP11B1CYP11B2
SCHEMBL13223467 0.78 CD38 (0.38) CD38PDK2CYP11B1CYP11B2
SCHEMBL8560336 0.78 ITGB3 (0.38) SMYD3
SCHEMBL8415991 0.78 ITGB3 (0.38) SMYD3

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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN SMYD3 911/4885CD38 2856/4885PDK2 959/4885

“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.