SCHEMBL102802

SCHEMBL102802

C#CCCn1nc2ccc(C)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NQO2 P16083 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.35
TLR8 Q9NR97 2/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL3634769 0.83 MAPT (0.42) MAPTL3MBTL1ALDH1A1TP53GAA
SCHEMBL103535 0.80 NPC1 (0.35) L3MBTL1KDM4ERAB9ANPC1MEN1
SCHEMBL102755 0.75
SCHEMBL102708 0.74 MAPT (0.33) MAPTL3MBTL1KDM4E
SCHEMBL14382270 0.73 TLR8 (0.52) MAPTL3MBTL1TP53NLRP3TLR8
SCHEMBL103031 0.72 MAPT (0.42) MAPTL3MBTL1NQO2KDM4EALDH1A1
SCHEMBL9909829 0.72 NQO2 (0.46) MAPTL3MBTL1NQO2KDM4EALDH1A1
SCHEMBL102711 0.71 MAPT (0.38) MAPTL3MBTL1RAB9ANPC1MEN1
SCHEMBL7364726 0.70 MAPT (0.39) MAPTL3MBTL1NQO2KDM4EALDH1A1
SCHEMBL103133 0.68

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 7 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

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 1113/4885L3MBTL1 3907/4885NQO2 2899/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MAPT 630/4885L3MBTL1 4070/4885NQO2 2510/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPT 1113/4885L3MBTL1 3907/4885NQO2 2899/4885

“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.