SCHEMBL6920491

SCHEMBL6920491

CNCC1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HPN P05981 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CTSD P07339 3/20 0.35
BCL2A1 Q16548 2/20 0.35
BACE1 P56817 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL12059016 0.87 L3MBTL1 (0.38) L3MBTL1GRM2CYP1A2CYP3A4LRRK2
SCHEMBL6921785 0.86 PIM1 (0.38) L3MBTL1GRM2CYP1A2CYP3A4LRRK2
SCHEMBL12059514 0.86 BRD4 (0.38) L3MBTL1GRM2CYP1A2CYP3A4CTSD
SCHEMBL6922021 0.85 GRM5 (0.38)
SCHEMBL12059033 0.82 RAB9A (0.37) GRM2CYP1A2CYP3A4LRRK2
SCHEMBL6920959 0.80 NPC1 (0.38)
SCHEMBL6922383 0.79 L3MBTL1 (0.38) L3MBTL1GRM2CYP1A2CYP3A4GSK3A
SCHEMBL6923633 0.76 RAB9A (0.42) L3MBTL1CYP1A2CYP3A4
SCHEMBL6920741 0.74 RAB9A (0.41) L3MBTL1CYP1A2CYP3A4
SCHEMBL6922345 0.73 HTR1A (0.41) L3MBTL1GRM2TNKS2

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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 L3MBTL1 3622/4885GRM2 2/4885CYP1A2 4540/4885

“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.