SCHEMBL103864

SCHEMBL103864

Cn1c(CCC#C[Si](C)(C)C)nc2cccc(Cl)c21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.48
PRMT5 O14744 1/20 0.48
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
PDE10A Q9Y233 4/20 0.36
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.31
TP53 P04637 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL102724 0.83 PRMT5 (0.53) PSMB8PRMT5DPP4DPP8PDE10A
SCHEMBL102304 0.81 PSMB8 (0.42) PSMB8PRMT5DPP4DPP8PDE10A
SCHEMBL102977 0.79 PSMB8 (0.41) PSMB8PRMT5DPP4DPP8PDE10A
SCHEMBL102626 0.78 PRMT5 (0.60) PSMB8PRMT5DPP4DPP8PDE10A
SCHEMBL102133 0.78 MAPT (0.54) PDE10AHDAC6MAPTNPC1RAB9A
SCHEMBL30971490 0.74 PRMT5 (0.58) PSMB8PRMT5DPP4DPP8PDE10A
SCHEMBL103561 0.69 ADRA2A (0.44) PSMB8PRMT5
SCHEMBL103692 0.68 PIK3CD (0.41) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL105355 0.68 LMNA (0.65) MAPTSMN1; SMN2GAA
SCHEMBL102269 0.68 MEN1 (0.58) MAPTRAB9ASMN1; SMN2TP53

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 PSMB8 4230/4885PRMT5 532/4885DPP4 2103/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PSMB8 4600/4885PRMT5 510/4885DPP4 2030/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PSMB8 4230/4885PRMT5 532/4885DPP4 2103/4885

“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.