SCHEMBL104166

SCHEMBL104166

Cc1cccn2cc(CCC#C[Si](C)(C)C)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 7/20 0.47
TSHR P16473 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 5/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL103608 0.86 TSHR (0.39) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL103986 0.85 PDE10A (0.42) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL101967 0.82 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL100452 0.80 GRM5 (0.57) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL9570359 0.78 KDM4E (0.59) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL100895 0.78 PDE10A (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL103676 0.78 ATP4A (0.48) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL14736747 0.77 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL14735706 0.75 GRM5 (0.60) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL9570481 0.75 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTNPSR1

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 8 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
EP-1765795-B1 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2013-03-06 EP 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

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 NPC1 949/4885RAB9A 1458/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 817/4885RAB9A 1309/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 949/4885RAB9A 1458/4885SMN1; SMN2 881/4885

“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.