SCHEMBL2955049

SCHEMBL2955049

CC(C)COC(=O)OCC1(COC(=O)OCC(C)C)C(=O)C2CCN1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
CYP2C9 P11712 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS1 P23219 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 2/20 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
SCHEMBL2965105 0.86 MEN1 (0.54) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL13238745 0.85 MEN1 (0.50) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL29966288 0.85 MEN1 (0.53) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL13238704 0.85 KMT2A (0.53) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL23727467 0.85 MEN1 (0.53) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL23727471 0.85 MEN1 (0.53) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL13238731 0.77 KMT2A (0.54) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL2955051 0.76 MAPT (0.53) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL8285700 0.76 MEN1 (0.53) MEN1CYP2C9KMT2AMAPTCYP2C19
SCHEMBL13238712 0.76 MEN1 (0.56) MEN1CYP2C9KMT2AMAPTCYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759361-B2 treating a cancer, autoimmune diseases and cardiovscular disorders comprising administering drugs such as Isobutyric acid 2-isobutyryloxymethyl-3-oxo-1-aza-bicyclo[2.2.2]oct-ylmethyl ester; antiproliferative agents APREA AB (SE) 2010-07-20 US disclosed
US-7759361-B2 treating a cancer, autoimmune diseases and cardiovscular disorders comprising administering drugs such as Isobutyric acid 2-isobutyryloxymethyl-3-oxo-1-aza-bicyclo[2.2.2]oct-ylmethyl ester; antiproliferative agents APREA AB (SE) 2010-07-20 US disclosed
US-7759361-B2 treating a cancer, autoimmune diseases and cardiovscular disorders comprising administering drugs such as Isobutyric acid 2-isobutyryloxymethyl-3-oxo-1-aza-bicyclo[2.2.2]oct-ylmethyl ester; antiproliferative agents APREA AB (SE) 2010-07-20 US disclosed
US-20070142370-A1 Azabicyclooctan-3-one derivatives and use thereof APREA AB (SE) 2007-06-21 US disclosed
US-20070142370-A1 Azabicyclooctan-3-one derivatives and use thereof APREA AB (SE) 2007-06-21 US disclosed
US-20070142370-A1 Azabicyclooctan-3-one derivatives and use thereof APREA AB (SE) 2007-06-21 US disclosed
EP-1727817-A1 AZABICYCLOOCTAN-3-ONE DERIVATIVES AND USE THEREOF APREA AB (SE) 2006-12-06 EP disclosed
WO-2005090341-A1 AZABICYCLOOCTAN-3-ONE DERIVATIVES AND USE THEREOF APREA AB (SE) 2005-09-29 WO disclosed
WO-2005090341-A1 AZABICYCLOOCTAN-3-ONE DERIVATIVES AND USE THEREOF APREA AB (SE) 2005-09-29 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-20070142370-A1 Azabicyclooctan-3-one derivatives and use thereof CCNA1, CCNY, MALT1 MEN1 246/4885CYP2C9 2552/4885KMT2A 2802/4885

“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.