SCHEMBL104191

SCHEMBL104191

CCOC(=O)c1cn2c(-c3ccccc3)cccc2n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
GABRA2 P47869 6/20 0.56
GABRB2 P47870 6/20 0.56
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3498136 0.89 GAA (0.65) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL101291 0.82 GAA (1.00) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL25262974 0.82 GAA (0.73) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL102137 0.80 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL7274660 0.80 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL12119842 0.80 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL3033258 0.80 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL23530875 0.80 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL118187 0.80 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL18137284 0.79 GAA (0.58) GAAGABRA2GABRB2CYP1A2CYP2C9

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 10 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
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 GAA 2330/4885GABRA2 59/4885GABRB2 64/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GAA 2249/4885GABRA2 48/4885GABRB2 54/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GAA 2330/4885GABRA2 59/4885GABRB2 64/4885

“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.