SCHEMBL102754

SCHEMBL102754

COc1cccc2oc(CCC#Cc3ccccn3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HCRTR1 O43613 1/20 0.47
POLB P06746 1/20 0.47
GRM5 P41594 5/20 0.44
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CBFB Q13951 1/20 0.36
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 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
SCHEMBL102670 0.85 GRM5 (0.43) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL102825 0.83 GRM5 (0.43) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL102029 0.82 GRM5 (0.42) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL103780 0.82 GRM5 (0.41) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL101188 0.82 GRM5 (0.46) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL102271 0.82 GRM5 (0.41) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL102876 0.81 GRM5 (0.39) NPC1RAB9AHCRTR1POLBGRM5
SCHEMBL103136 0.79 NPC1 (0.55) NPC1RAB9AGRM5PDE10AALDH1A1
SCHEMBL101633 0.78 GRM5 (0.43) NPC1RAB9AGRM5PDE10AALDH1A1
Hydrochloric Acid SCHEMBL103138 0.78 NPC1 (0.54) NPC1RAB9AGRM5PDE10AALDH1A1

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
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
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

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 1458/4885HCRTR1 81/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 817/4885RAB9A 1309/4885HCRTR1 86/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 949/4885RAB9A 1458/4885HCRTR1 81/4885

“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.