SCHEMBL5486972

SCHEMBL5486972

C=CC(=O)N1CCN(c2nccnc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 4/20 0.39
JAK3 P52333 2/20 0.39
MAPK1 P28482 1/20 0.38
BTK Q06187 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KRAS P01116 3/20 0.37
PANK3 Q9H999 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BCL2A1 Q16548 2/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 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
SCHEMBL2077222 0.80 MAPT (0.51) MAPTKDM4EMAPK1ALDH1A1TDP1
SCHEMBL14566007 0.80 KDM4E (0.62) MAPTKDM4EALDH1A1TDP1PANK3
SCHEMBL3333697 0.79 MAPT (0.46) MAPTKDM4EMAPK1ALDH1A1TDP1
SCHEMBL5486967 0.77 L3MBTL1 (0.50) MAPTKDM4E
SCHEMBL5486964 0.77 L3MBTL1 (0.50) MAPTKDM4E
SCHEMBL12269830 0.76 GPR119 (0.48) MAPTALDH1A1
SCHEMBL5484919 0.76 L3MBTL1 (0.51) MAPTKDM4EALDH1A1
SCHEMBL5484924 0.76 L3MBTL1 (0.51) MAPTKDM4EALDH1A1
SCHEMBL26107115 0.76 FGFR4 (0.45) JAK3BTKPANK3CA12CA1
SCHEMBL30591884 0.76 FGFR4 (0.45) JAK3BTKPANK3CA12CA1

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 3 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 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 MAPT 1549/4885KDM4E 1679/4885JAK3 998/4885

“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.