SCHEMBL6922345

SCHEMBL6922345

CN(C)C1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
MAP4K4 O95819 2/20 0.40
TNKS2 Q9H2K2 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRM2 Q14416 2/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6922263 0.92 MAP4K4 (0.42) HTR1AHTR7MAP4K4NPC1RAB9A
SCHEMBL6921125 0.87 RAB9A (0.40) NPC1RAB9AL3MBTL1
SCHEMBL6920969 0.86 GRM2 (0.37) NPC1RAB9AGRM2L3MBTL1KDM4E
SCHEMBL6920971 0.85 GRM5 (0.39)
SCHEMBL6920625 0.84 APOBEC3A (0.37) TNKS2NPC1RAB9AGRM2L3MBTL1
SCHEMBL12059075 0.83 GRM2 (0.37) NPC1RAB9AGRM2L3MBTL1
SCHEMBL6920638 0.82 RAB9A (0.38) NPC1RAB9AGRM2L3MBTL1
SCHEMBL6920741 0.82 RAB9A (0.41) NPC1RAB9AL3MBTL1KDM4E
SCHEMBL6920820 0.82 RAB9A (0.43) NPC1RAB9AL3MBTL1KDM4E
SCHEMBL12059033 0.82 RAB9A (0.37) MAP4K4NPC1RAB9AGRM2

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 HTR1A 251/4885HTR7 351/4885MAP4K4 2095/4885

“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.