SCHEMBL4778809

SCHEMBL4778809

CC(C)(C)OC(=O)N1CC[C@@](CN)(NC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
PIK3R1 P27986 8/20 0.38
PIK3CA P42336 8/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP30 Q70CQ3 1/20 0.37
ADAM17 P78536 1/20 0.37
SCD5 Q86SK9 1/20 0.36
HDAC2 Q92769 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL19625229 0.89 EPHX2 (0.39) EPHX2PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL4776859 0.88 PIK3R1 (0.45) EPHX2PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL5567244 0.86 HDAC2 (0.39) EPHX2PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL1003106 0.81 EPHX2 (0.46) EPHX2USP2SMN1; SMN2ADAM17
SCHEMBL29205778 0.80 USP2 (0.45) EPHX2USP2SMN1; SMN2ADAM17
SCHEMBL27139196 0.80 OPRD1 (0.43) SMN1; SMN2USP30
SCHEMBL18319088 0.79 EPHX2 (0.42) EPHX2USP2SMN1; SMN2ADAM17
SCHEMBL1586974 0.77 EPHX2 (0.43) EPHX2USP2SMN1; SMN2ADAM17HDAC2
SCHEMBL4727152 0.76 SCD5 (0.45) PIK3R1PIK3CAPIK3CDPIK3CBUSP30
SCHEMBL18342437 0.76 USP2 (0.42) EPHX2USP2SMN1; SMN2USP30SCD5

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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 EPHX2 1543/4885PIK3R1 1643/4885PIK3CA 3860/4885

“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.