SCHEMBL5484998

SCHEMBL5484998

COc1cccc(/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.54
ACHE P22303 1/20 0.52
ENPP2 Q13822 1/20 0.51
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
PANK3 Q9H999 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CFTR P13569 1/20 0.46

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
SCHEMBL5485005 1.00 ALDH1A1 (0.54) ALDH1A1MAPTACHEENPP2KDM4E
SCHEMBL5479562 0.89 L3MBTL1 (0.50) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5479555 0.89 L3MBTL1 (0.50) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5480286 0.88 L3MBTL1 (0.49) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5480282 0.88 L3MBTL1 (0.49) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5480821 0.87 KDM4E (0.55) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5480813 0.87 KDM4E (0.55) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5486984 0.86 L3MBTL1 (0.53) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5486990 0.86 L3MBTL1 (0.53) ALDH1A1MAPTENPP2KDM4ETDP1
SCHEMBL5486556 0.85 L3MBTL1 (0.69) ALDH1A1MAPTENPP2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US claimed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 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-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM3 ALDH1A1 1232/4885MAPT 1549/4885ACHE 2267/4885

“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.