SCHEMBL102805

SCHEMBL102805

COc1ccc(-c2noc(CCC#Cc3ccccn3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.58
MAPT P10636 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SIRT2 Q8IXJ6 1/20 0.53
LMNA P02545 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL101741 0.89 GRM5 (0.53) L3MBTL1MAPTNPC1RAB9ALMNA
SCHEMBL101866 0.88 TDP1 (0.53) L3MBTL1MAPTNPC1RAB9ALMNA
SCHEMBL4534120 0.87 RAB9A (0.52) L3MBTL1NPC1RAB9ATSHRATM
SCHEMBL459699 0.86 S1PR1 (0.52) L3MBTL1MAPTNPC1RAB9ASIRT2
SCHEMBL101484 0.85 ALDH1A1 (0.53) L3MBTL1MAPTNPC1RAB9ASIRT2
SCHEMBL102368 0.85 NPC1 (0.51) L3MBTL1MAPTNPC1RAB9ASIRT2
SCHEMBL102404 0.84 SMN1; SMN2 (0.45) L3MBTL1MAPTNPC1RAB9ALMNA
SCHEMBL101625 0.83 NPC1 (0.50) L3MBTL1MAPTNPC1RAB9ALMNA
SCHEMBL102926 0.83 SMN1; SMN2 (0.50) L3MBTL1MAPTNPC1RAB9ALMNA
SCHEMBL101811 0.80 RAB9A (0.58) L3MBTL1MAPTNPC1RAB9ALMNA

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 L3MBTL1 3907/4885MAPT 1113/4885NPC1 949/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 L3MBTL1 4070/4885MAPT 630/4885NPC1 817/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 L3MBTL1 3907/4885MAPT 1113/4885NPC1 949/4885

“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.