SCHEMBL103559

SCHEMBL103559

Cc1ccc(Cl)cc1-c1noc(CCC#Cc2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GRM5 P41594 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL102187 0.90 GRM5 (0.43) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL102849 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL103828 0.88 GRM5 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1GRM5
SCHEMBL104944 0.88 GRM5 (0.51) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL4198996 0.87 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL105128 0.84 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL101484 0.83 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL101626 0.83 ATM (0.50) NPC1RAB9ASMN1; SMN2MAPTGRM5
SCHEMBL102112 0.82 ATM (0.41) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL103382 0.82 GRM5 (0.47) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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 11 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
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 1458/4885SMN1; 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.