SCHEMBL5482960

SCHEMBL5482960

C[C@@H]1CN(c2ncccc2C#N)CCN1C(=O)/C=C/c1cccc(OC(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.51
KIT P10721 5/20 0.43
KDM4E B2RXH2 4/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3CD O00329 1/20 0.38
ENPP2 Q13822 1/20 0.38
PANK3 Q9H999 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37

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
SCHEMBL5482964 1.00 GRM1 (0.51) GRM1KITKDM4ERECQLL3MBTL1
SCHEMBL5484705 0.89 KIT (0.44) GRM1KITKDM4ERECQLL3MBTL1
SCHEMBL5484714 0.89 KIT (0.44) GRM1KITKDM4ERECQLL3MBTL1
SCHEMBL5485424 0.89 KIT (0.44) GRM1KITKDM4ERECQLL3MBTL1
SCHEMBL5485428 0.89 KIT (0.44) GRM1KITKDM4ERECQLL3MBTL1
SCHEMBL5477268 0.87 GRM1 (0.56) GRM1KDM4ERECQLL3MBTL1ALDH1A1
SCHEMBL5480698 0.87 GRM1 (0.56) GRM1KDM4ERECQLL3MBTL1ALDH1A1
SCHEMBL5480694 0.87 GRM1 (0.56) GRM1KDM4ERECQLL3MBTL1ALDH1A1
SCHEMBL5477272 0.87 GRM1 (0.56) GRM1KDM4ERECQLL3MBTL1ALDH1A1
SCHEMBL5482307 0.86 GRM1 (0.55) GRM1KDM4ERECQLL3MBTL1ALDH1A1

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 GRM1 2/4885KIT 2227/4885KDM4E 1679/4885

“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.