SCHEMBL100737

SCHEMBL100737

C#CCCc1nc2ccccc2o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
LOXL2 Q9Y4K0 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
DRD3 P35462 6/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PSMB8 P28062 1/20 0.43
DRD1 P21728 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL155002 0.83 MAPT (1.00) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL11399187 0.80 MAPT (0.84) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL9642061 0.80 MAPT (0.84) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL104801 0.78 KDM4E (0.73) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL103534 0.78 SOS1 (0.49) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL103074 0.78 KDM4E (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL102941 0.78 MEN1 (0.62) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL102743 0.78 GRK6 (0.42) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL101887 0.78 MAPT (0.47) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL1305576 0.77 MAPT (0.66) MAPTNPC1RAB9ALOXL2SMN1; SMN2

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
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 MAPT 1113/4885NPC1 949/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MAPT 630/4885NPC1 817/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPT 1113/4885NPC1 949/4885RAB9A 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.