SCHEMBL5486552

SCHEMBL5486552

C[C@@H]1CN(c2ncc(F)cc2C#N)CCN1C(=O)C=Cc1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.42
P4HB P07237 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIT P10721 2/20 0.40
CHRM1 P11229 11/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
IDH1 O75874 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PIK3CD O00329 2/20 0.38

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
SCHEMBL5486546 1.00 GRM1 (0.42) GRM1P4HBL3MBTL1KITCHRM1
SCHEMBL5480665 0.92 CHRM1 (0.42) GRM1L3MBTL1KITCHRM1CHRM2
SCHEMBL5480673 0.92 CHRM1 (0.42) GRM1L3MBTL1KITCHRM1CHRM2
SCHEMBL5481574 0.91 CHRM1 (0.42) GRM1L3MBTL1KITCHRM1CHRM2
SCHEMBL5481568 0.91 CHRM1 (0.42) GRM1L3MBTL1KITCHRM1CHRM2
SCHEMBL5485424 0.88 KIT (0.44) GRM1L3MBTL1KITCHRM1CHRM2
SCHEMBL5485428 0.88 KIT (0.44) GRM1L3MBTL1KITCHRM1CHRM2
SCHEMBL5477272 0.87 GRM1 (0.56) GRM1P4HBL3MBTL1HRH4
SCHEMBL5477268 0.87 GRM1 (0.56) GRM1P4HBL3MBTL1HRH4
SCHEMBL5481392 0.82 GRM1 (0.42) GRM1P4HBL3MBTL1CHRM1CHRM2

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 2 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

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 2/4885P4HB 3975/4885L3MBTL1 4137/4885

“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.