SCHEMBL102333

SCHEMBL102333

C[Si](C)(C)C#CCCN1Cc2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
DRD2 P14416 3/20 0.45
DRD5 P21918 3/20 0.45
DRD3 P35462 3/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL101954 0.79 KDM4E (0.48) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL30073110 0.78 KDM4E (0.72) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL30073106 0.78 KDM4E (0.72) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL102658 0.78 KDM4E (0.59) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL102279 0.76 GLS (0.47) KMT2A
SCHEMBL8242914 0.76 KDM4E (0.64) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL31252767 0.76 KDM4E (0.64) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL29531631 0.73 KDM4E (0.60) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL22291829 0.73 KDM4E (0.60) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL5636228 0.72 KDM4E (0.64) KDM4EALOX15TSHRSIRT1DRD2

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 KDM4E 1750/4885ALOX15 1300/4885TSHR 465/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KDM4E 1986/4885ALOX15 1607/4885TSHR 454/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KDM4E 1750/4885ALOX15 1300/4885TSHR 465/4885

“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.