SCHEMBL104708

SCHEMBL104708

FC(F)(F)c1cccc2nc(CCC#Cc3ccccn3)oc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
POLQ O75417 1/20 0.37
KCNH2 Q12809 2/20 0.36
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PDE10A Q9Y233 1/20 0.32
C1R P00736 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL101910 0.85 GRM5 (0.45) GRM5KCNH2TLR8TLR7PDE10A
SCHEMBL102789 0.83 GRM5 (0.40) GRM5KCNH2TLR8TLR7PDE10A
SCHEMBL102632 0.83 GRM5 (0.40) GRM5KCNH2TLR8TLR7PDE10A
SCHEMBL103358 0.83 GRM5 (0.42) GRM5KCNH2TLR8TLR7PDE10A
SCHEMBL102419 0.82 GRM5 (0.43) GRM5POLQKCNH2PDE10A
SCHEMBL102341 0.81 GRM5 (0.39) GRM5KCNH2PDE10AMAPT
SCHEMBL102825 0.80 GRM5 (0.43) GRM5KCNH2NPC1MAPTRAB9A
SCHEMBL103255 0.80 GRM5 (0.38) GRM5KCNH2TLR8TLR7PDE10A
SCHEMBL103136 0.78 NPC1 (0.55) GRM5KCNH2PDE10ANPC1MAPT
SCHEMBL102890 0.78 NPC1 (0.36) TLR8TLR7C1RNPC1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
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 (3 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885POLQ 4318/4885KCNH2 644/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885POLQ 4443/4885KCNH2 724/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885POLQ 4318/4885KCNH2 644/4885

“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.