SCHEMBL5484705

SCHEMBL5484705

C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1cccc(OC(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.44
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
GRM1 Q13255 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 3/20 0.36
PIK3R1 P27986 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36
MAPT P10636 1/20 0.36
IDH1 O75874 1/20 0.35

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
SCHEMBL5484714 1.00 KIT (0.44) KITKDM4ERECQLGRM1CYP3A4
SCHEMBL5482960 0.89 GRM1 (0.51) KITKDM4ERECQLGRM1L3MBTL1
SCHEMBL5482964 0.89 GRM1 (0.51) KITKDM4ERECQLGRM1L3MBTL1
SCHEMBL5483917 0.86 GRM1 (0.42) GRM1CYP3A4CYP2D6L3MBTL1PIK3CD
SCHEMBL5480190 0.86 GRM1 (0.42) GRM1CYP3A4CYP2D6L3MBTL1PIK3CD
SCHEMBL5480198 0.86 GRM1 (0.42) GRM1CYP3A4CYP2D6L3MBTL1PIK3CD
SCHEMBL5483923 0.86 GRM1 (0.42) GRM1CYP3A4CYP2D6L3MBTL1PIK3CD
SCHEMBL5481381 0.86 GRM1 (0.42) GRM1CYP3A4CYP2D6L3MBTL1PIK3CD
SCHEMBL5481392 0.86 GRM1 (0.42) GRM1CYP3A4CYP2D6L3MBTL1PIK3CD
SCHEMBL5486528 0.85 GRM5 (0.44) KITGRM1CYP3A4CYP2D6L3MBTL1

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 KIT 2227/4885KDM4E 1679/4885RECQL 2826/4885

“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.