SCHEMBL103069

SCHEMBL103069

Cc1nc(C#CCCc2nc3ccccc3s2)cs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
GRM5 P41594 7/20 0.46
MAPT P10636 4/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
UBE2T Q9NPD8 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL103079 0.81 GRM5 (0.59) HPGDRAB9AGRM5MAPTALOX15
SCHEMBL102774 0.78 RAB9A (0.52) HPGDRAB9AGRM5MAPTALOX15
SCHEMBL102265 0.77 GRM5 (0.60) GRM5
SCHEMBL103042 0.77 DRD2 (0.43) HPGDRAB9AMAPTALOX15SMN1; SMN2
SCHEMBL103367 0.76 UBE2T (0.43) HPGDRAB9AGRM5MAPTALOX15
SCHEMBL103658 0.76 UBE2T (0.43) HPGDRAB9AGRM5MAPTALOX15
SCHEMBL19372016 0.74 UBE2T (0.70) HPGDRAB9AMAPTALOX15SMN1; SMN2
SCHEMBL102610 0.74 NPC1 (0.50) RAB9AGRM5MAPTSMN1; SMN2HTT
SCHEMBL101888 0.74 PDE10A (0.43) HPGDRAB9AGRM5MAPTALOX15
SCHEMBL101855 0.74 SMN1; SMN2 (0.48) HPGDRAB9AGRM5MAPTALOX15

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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP claimed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO 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 HPGD 3279/4885RAB9A 1458/4885GRM5 1/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HPGD 3146/4885RAB9A 1309/4885GRM5 1/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HPGD 3279/4885RAB9A 1458/4885GRM5 1/4885

“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.