SCHEMBL102303

SCHEMBL102303

C[Si](C)(C)C#CCCn1ncc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
KMO O15229 1/20 0.50
RECQL P46063 2/20 0.47
DAO P14920 1/20 0.43
P2RX7 Q99572 1/20 0.40
POLB P06746 3/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ADRA2A P08913 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SOAT1 P35610 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28675907 0.84 CYP1A2 (0.58) CYP1A2KMORECQLDAOP2RX7
SCHEMBL103799 0.78 CYP1A2 (0.71) CYP1A2KMORECQLDAOP2RX7
SCHEMBL103801 0.77 CYP1A2 (0.57) CYP1A2KMORECQLDAOP2RX7
SCHEMBL103561 0.77 ADRA2A (0.44) CYP1A2RECQLADRA2A
SCHEMBL29487638 0.75 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL5565705 0.75 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL27997802 0.73 RECQL (0.65) CYP1A2KMORECQLDAOP2RX7
SCHEMBL104659 0.73 TSHR (0.63) HSD17B10L3MBTL1NPC1RAB9ATSHR
SCHEMBL1326630 0.72 CYP1A2 (0.58) CYP1A2KMORECQLDAOP2RX7
SCHEMBL14612118 0.72 CYP1A2 (0.82) CYP1A2KMORECQLDAOP2RX7

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 CYP1A2 3599/4885KMO 1554/4885RECQL 3906/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CYP1A2 3019/4885KMO 1273/4885RECQL 4038/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CYP1A2 3599/4885KMO 1554/4885RECQL 3906/4885

“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.