SCHEMBL101888

SCHEMBL101888

FCc1cccc(C#CCCc2nc3ccccc3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
UBE2T Q9NPD8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
GRM5 P41594 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
NPC1 O15118 3/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL103367 0.85 UBE2T (0.43) PDE10AUBE2TASIC3GRM5L3MBTL1
SCHEMBL103658 0.82 UBE2T (0.43) PDE10AUBE2TASIC3GRM5L3MBTL1
SCHEMBL103079 0.82 GRM5 (0.59) PDE10AUBE2TASIC3GRM5SMN1; SMN2
SCHEMBL102774 0.80 RAB9A (0.52) PDE10AUBE2TASIC3GRM5L3MBTL1
SCHEMBL5258543 0.77 GRM5 (0.66) GRM5SMN1; SMN2
SCHEMBL100551 0.76 GRM5 (0.44) PDE10AGRM5CYP1A2CYP3A4CYP2C9
SCHEMBL101855 0.76 SMN1; SMN2 (0.48) PDE10AUBE2TASIC3GRM5L3MBTL1
SCHEMBL101761 0.75 PDE10A (0.50) PDE10AGRM5KMT2AMEN1MAPT
SCHEMBL102431 0.74 GRM5 (0.48) PDE10AGRM5L3MBTL1MAPK1POLB
SCHEMBL103069 0.74 HPGD (0.46) PDE10AUBE2TASIC3GRM5L3MBTL1

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 PDE10A 2028/4885UBE2T 3494/4885ASIC3 352/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PDE10A 2311/4885UBE2T 3293/4885ASIC3 451/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PDE10A 2028/4885UBE2T 3494/4885ASIC3 352/4885

“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.