SCHEMBL395022

SCHEMBL395022

ClCc1cccc2nc(CCC#Cc3ccccn3)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
GRM5 P41594 9/20 0.39
KCNH2 Q12809 2/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2C P18825 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR7 P34969 2/20 0.32
ADRA1A P35348 2/20 0.32
HRH1 P35367 2/20 0.32
HTR2B P41595 2/20 0.32
ADRA2B P18089 1/20 0.32
DRD1 P21728 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL102774 0.79 RAB9A (0.52) PDE10AGRM5KCNH2DRD2DRD4
SCHEMBL102081 0.74 PDE10A (0.45) PDE10AGRM5KCNH2
SCHEMBL102312 0.73 DRD2 (0.53) PDE10AGRM5DRD2DRD4DRD3
SCHEMBL103003 0.73 PDE10A (0.44) PDE10AGRM5KCNH2DRD2DRD4
SCHEMBL101754 0.73 GRM5 (0.43) PDE10AGRM5KCNH2DRD2DRD4
SCHEMBL103429 0.72 GRM5 (0.50) PDE10AGRM5KCNH2DRD2DRD4
SCHEMBL101842 0.71 GRM5 (0.43) PDE10AGRM5DRD2DRD4DRD3
SCHEMBL101447 0.71 GRM5 (0.46) PDE10AGRM5DRD2DRD4DRD3
SCHEMBL103658 0.68 UBE2T (0.43) PDE10AGRM5DRD2DRD3NPC1
SCHEMBL104758 0.67 GRM5 (0.44) GRM5KCNH2

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-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PDE10A 2311/4885GRM5 1/4885KCNH2 724/4885

“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.