SCHEMBL6922443

SCHEMBL6922443

Cn1c(C2CCOC2)nc2cc(-c3cccc(F)c3)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 8/20 0.42
PDE1A P54750 7/20 0.42
PDE1B Q01064 7/20 0.42
BACE1 P56817 1/20 0.39
SOS1 Q07889 1/20 0.38
CTSD P07339 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 0.36
F2R P25116 1/20 0.36
DYRK1A Q13627 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
SCHEMBL2041434 0.85 PDE1A (0.43) PDE1CPDE1APDE1B
SCHEMBL12059071 0.84 BACE1 (0.38) BACE1CTSDTNKS2USP2ALDH1A1
SCHEMBL12059014 0.82 DYRK1A (0.39) BACE1TNKS2USP2ALDH1A1CYP1A2
SCHEMBL6921190 0.82 CTSD (0.46) PDE1CPDE1BBACE1CTSDTNKS2
SCHEMBL2050602 0.79 PARG (0.38) BACE1SOS1CTSDUSP2ALDH1A1
SCHEMBL6920339 0.78 USP30 (0.43) BACE1TNKS2USP2ALDH1A1CYP1A2
SCHEMBL6921114 0.78 BACE1 (0.38) BACE1SOS1CTSDTNKS2USP2
SCHEMBL6922860 0.71 GRM5 (0.41) CTSDUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL13101679 0.70 PDE1C (0.44) PDE1CPDE1APDE1BALDH1A1TSHR
SCHEMBL2053436 0.70 GRM5 (0.38)

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 PDE1C 740/4885PDE1A 530/4885PDE1B 536/4885

“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.