SCHEMBL14501404

SCHEMBL14501404

CCOC(=O)CC1CCN(C(=O)OC)CC1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD11B1 P28845 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
MAPT P10636 3/20 0.35
CHRM1 P11229 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL13711178 0.93 GAA (0.45) L3MBTL1THRBATMGAAALDH1A1
SCHEMBL20767209 0.86 GAA (0.38) L3MBTL1THRBATMGAAALDH1A1
SCHEMBL27008084 0.86 GAA (0.38) L3MBTL1THRBATMGAAALDH1A1
SCHEMBL6120347 0.86 GAA (0.38) L3MBTL1THRBATMGAAALDH1A1
SCHEMBL20767257 0.86 GAA (0.38) L3MBTL1THRBATMGAAALDH1A1
SCHEMBL27008132 0.86 GAA (0.38) L3MBTL1THRBATMGAAALDH1A1
SCHEMBL29099046 0.86 HPGD (0.42) GAAALDH1A1MAPT
SCHEMBL5151599 0.86 HPGD (0.42) GAAALDH1A1MAPT
SCHEMBL15227428 0.86 HPGD (0.42) GAAALDH1A1MAPT
SCHEMBL29099043 0.86 HPGD (0.42) GAAALDH1A1MAPT

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-20070149568-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists MERCK SHARP & DOHME LLC 2007-06-28 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-20070149568-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists GRIN2B, GRIN1, GRIN2A L3MBTL1 4317/4885THRB 1720/4885ATM 4047/4885

“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.