SCHEMBL102133

SCHEMBL102133

Cn1c(CCC#C[Si](C)(C)C)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
PDE10A Q9Y233 2/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL105355 0.82 LMNA (0.65) MAPTSMN1; SMN2GAALMNAKDM4E
SCHEMBL102461 0.82 POLB (0.51) MAPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL103692 0.81 PIK3CD (0.41) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL103972 0.80 MAPT (0.57) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL101252 0.80 PDE10A (0.49) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL102269 0.80 MEN1 (0.58) MAPTRAB9ASMN1; SMN2CYP2D6LMNA
SCHEMBL103864 0.78 PSMB8 (0.48) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL14050118 0.77 MAPT (0.76) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL3640134 0.76 LMNA (0.64) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL102045 0.76 PDE10A (0.46) MAPTHDAC6RAB9ANPC1SMN1; 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 MAPT 1113/4885HDAC6 1324/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MAPT 630/4885HDAC6 1182/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPT 1113/4885HDAC6 1324/4885RAB9A 1458/4885

“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.