SCHEMBL104067

SCHEMBL104067

Cc1c(-c2ccc(F)cc2)nnn1CCC#Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK14 Q16539 4/20 0.35
MAP4K4 O95819 3/20 0.34
CDC7 O00311 2/20 0.34
DAPK3 O43293 2/20 0.34
ROCK2 O75116 2/20 0.34
PRKD3 O94806 2/20 0.34
PRKACA P17612 2/20 0.34
CDK2 P24941 2/20 0.34
CSNK1A1 P48729 2/20 0.34
CLK2 P49760 2/20 0.34
GSK3B P49841 2/20 0.34
PRKX P51817 2/20 0.34
JAK3 P52333 2/20 0.34
CDK5 Q00535 2/20 0.34
MAP4K2 Q12851 2/20 0.34
CAMK2D Q13557 2/20 0.34
DYRK1A Q13627 2/20 0.34

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
SCHEMBL104193 0.80 GRM5 (0.44) GRM5MAPK14MAP4K4MAPK11CSNK1D
SCHEMBL102720 0.77 GRM5 (0.46) GRM5MAPK14MAPK1
SCHEMBL103813 0.76 MAPK14 (0.40) NPC1RAB9AMAPK14MAP4K4CDC7
SCHEMBL103257 0.75 GRM5 (0.47) GRM5MAPK14CDC7ROCK2CDK2
SCHEMBL104064 0.71 GRM5 (0.45) GRM5MAPK14
SCHEMBL102453 0.71 GRM5 (0.47) GRM5MAPK14FLT3
SCHEMBL103306 0.71 TSHR (0.57) NPC1RAB9A
SCHEMBL101612 0.70 GRM5 (0.47) GRM5MAPK14FLT3MKNK2
SCHEMBL101932 0.70 CYP11B2 (0.39) GRM5NPC1RAB9AFLT3SMN1; SMN2
SCHEMBL104181 0.70 GRM5 (0.52) GRM5

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 11 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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (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 1/4885NPC1 949/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885NPC1 817/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885NPC1 949/4885RAB9A 1458/4885

“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.