SCHEMBL6921114

SCHEMBL6921114

CN1CCOC(c2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2C)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
SOS1 Q07889 1/20 0.37
GSK3B P49841 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CTSD P07339 4/20 0.36
PTPN11 Q06124 1/20 0.36
MAP4K4 O95819 2/20 0.36
TNKS2 Q9H2K2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TGFBR1 P36897 1/20 0.35
GRM2 Q14416 1/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL6921190 0.86 CTSD (0.46) BACE1CYP1A2CTSDTNKS2USP2
SCHEMBL2051246 0.86 GRM5 (0.38) SOS1
SCHEMBL12059014 0.85 DYRK1A (0.39) BACE1CYP1A2CYP2D6MAP4K4TNKS2
SCHEMBL6921099 0.80 CACNA2D1 (0.38) SOS1USP2ALDH1A1
SCHEMBL12059071 0.78 BACE1 (0.38) BACE1CYP1A2GRIN2BCTSDTNKS2
SCHEMBL6922443 0.78 PDE1C (0.42) BACE1SOS1CYP1A2CTSDTNKS2
SCHEMBL6920339 0.77 USP30 (0.43) BACE1CYP1A2TNKS2USP2ALDH1A1
SCHEMBL2050540 0.72 GRM5 (0.41)
SCHEMBL6922377 0.72 LMNA (0.41) BACE1TNKS2TGFBR1GRM2TRPV4
SCHEMBL2053764 0.71 GRM5 (0.44)

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 BACE1 1400/4885SOS1 3769/4885GSK3B 1795/4885

“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.