SCHEMBL100900

SCHEMBL100900

Cc1cccc(C)c1-c1noc(CCC#Cc2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
NPC1 O15118 12/20 0.41
SMN1; SMN2 Q16637 11/20 0.41
RAB9A P51151 11/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL101457 0.92 SMN1; SMN2 (0.39) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL4198996 0.89 SMN1; SMN2 (0.47) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL105128 0.89 NPC1 (0.42) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL104238 0.86 NPC1 (0.43) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL101866 0.85 TDP1 (0.53) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL101811 0.84 RAB9A (0.58) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL4534120 0.84 RAB9A (0.52) NPC1SMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL102849 0.83 NPC1 (0.41) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL101654 0.83 MAPK1 (0.44) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL102112 0.82 ATM (0.41) GRM5NPC1SMN1; SMN2RAB9AL3MBTL1

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 12 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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP claimed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO 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 GRM5 1/4885NPC1 949/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885NPC1 817/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885NPC1 949/4885SMN1; 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.