SCHEMBL103986

SCHEMBL103986

C[Si](C)(C)C#CCCc1cn2cccc(Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 6/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 3/20 0.33
GRM5 P41594 1/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 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
SCHEMBL103608 0.85 TSHR (0.39) MAPTNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL104166 0.85 NPC1 (0.50) PDE10AMAPTNPSR1NPC1RAB9A
SCHEMBL102895 0.82 PDE10A (0.47) PDE10AMAPTNPSR1NPC1RAB9A
SCHEMBL104046 0.79 GRM5 (0.57) PDE10AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL103615 0.77 GRM5 (0.40) PDE10AMAPTNPSR1GRM5
SCHEMBL100895 0.77 PDE10A (0.50) PDE10AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL103676 0.77 ATP4A (0.48) MAPTNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL1895446 0.75 PDE10A (0.51) PDE10AMAPTNPSR1NPC1RAB9A
SCHEMBL2503225 0.75 PDE10A (0.54) PDE10AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15766922 0.72 PDE10A (0.48) PDE10AMAPTNPC1RAB9ASMN1; SMN2

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
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 PDE10A 2028/4885MAPT 1113/4885NPSR1 123/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PDE10A 2311/4885MAPT 630/4885NPSR1 102/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PDE10A 2028/4885MAPT 1113/4885NPSR1 123/4885

“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.