SCHEMBL103608

SCHEMBL103608

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 3/20 0.37
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 6/20 0.35
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 3/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL104166 0.86 NPC1 (0.50) TSHRHTTMAPK1MAPTNPSR1
SCHEMBL103986 0.85 PDE10A (0.42) TSHRHTTMAPK1MAPTNPSR1
SCHEMBL104052 0.80 HTT (0.37) TSHRHTTMAPK1MAPTNPSR1
SCHEMBL100895 0.78 PDE10A (0.50) TSHRHTTMAPK1MAPTSMN1; SMN2
SCHEMBL103676 0.78 ATP4A (0.48) MAPK1MAPTNPSR1SMN1; SMN2NPC1
SCHEMBL101358 0.77 GRM5 (0.41) TSHRHTTMAPTNPSR1GRM5
SCHEMBL13395689 0.73 NPC1 (0.41) TSHRHTTMAPK1MAPTSMN1; SMN2
SCHEMBL23320338 0.71 MAPK1 (0.40) TSHRHTTMAPK1MAPTNPSR1
Hydrochloric Acid SCHEMBL2453756 0.71 NPC1 (0.40) TSHRHTTMAPK1MAPTSMN1; SMN2
SCHEMBL104510 0.70 GRM5 (0.39) 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 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 TSHR 465/4885HTT 932/4885MAPK1 1416/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 454/4885HTT 910/4885MAPK1 1758/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TSHR 465/4885HTT 932/4885MAPK1 1416/4885

“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.