SCHEMBL102691

SCHEMBL102691

C#CCCc1nc2cccnc2o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
SGMS2 Q8NHU3 9/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
SORD Q00796 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL104994 0.77 GRM5 (0.43) NPC1RAB9AMAPTDAGLASGMS2
SCHEMBL100737 0.76 MAPT (0.70) NPC1RAB9AMAPTLOXL2CYP3A4
SCHEMBL103677 0.75 NPC1 (0.41) NPC1RAB9AMAPTDAGLAALDH1A1
SCHEMBL15810160 0.75 DAGLA (0.40) NPC1RAB9AMAPTDAGLASGMS2
SCHEMBL24029268 0.75 SGMS2 (0.41) NPC1RAB9AMAPTDAGLASGMS2
SCHEMBL12335784 0.75 SGMS2 (0.48) NPC1RAB9ADAGLASGMS2ALDH1A1
SCHEMBL6294640 0.75 SGMS2 (0.41) NPC1RAB9AMAPTDAGLASGMS2
SCHEMBL15864768 0.75 DAGLA (0.41) DAGLASGMS2ALDH1A1CYP3A4ALOX15
SCHEMBL102232 0.72 PSMB8 (0.50) NPC1RAB9AMAPTLOXL2
SCHEMBL103052 0.71 PIK3CD (0.39) NPC1RAB9AMAPTLOXL2

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 NPC1 949/4885RAB9A 1458/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 817/4885RAB9A 1309/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 949/4885RAB9A 1458/4885MAPT 1113/4885

“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.