SCHEMBL105128

SCHEMBL105128

Cc1cccc(-c2noc(CCC#Cc3ccccn3)n2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.42
SMN1; SMN2 Q16637 10/20 0.42
RAB9A P51151 9/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
S1PR1 P21453 2/20 0.40
GRM5 P41594 4/20 0.39
PDE10A Q9Y233 1/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
S1PR3 Q99500 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4198996 0.92 SMN1; SMN2 (0.47) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL102112 0.89 ATM (0.41) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL100900 0.89 GRM5 (0.42) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL102849 0.86 NPC1 (0.41) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL102767 0.84 SMN1; SMN2 (0.48) NPC1SMN1; SMN2RAB9AL3MBTL1S1PR1
SCHEMBL101766 0.84 NPC1 (0.40) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL103559 0.84 NPC1 (0.40) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL103828 0.84 GRM5 (0.44) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL101457 0.84 SMN1; SMN2 (0.39) NPC1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL101965 0.83 GRM5 (0.44) NPC1SMN1; SMN2RAB9AGAAL3MBTL1

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

“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.