SCHEMBL102258

SCHEMBL102258

C#CCCn1cc(-c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
CREBBP Q92793 4/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
STAT3 P40763 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
NAMPT P43490 3/20 0.37
FEN1 P39748 1/20 0.36
KCNH2 Q12809 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SOAT1 P35610 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL103796 0.84 CREBBP (0.46) L3MBTL1CREBBPMAPTFEN1KCNH2
SCHEMBL16991667 0.83 L3MBTL1 (0.59) L3MBTL1CREBBPMAPTRAB9AKDR
SCHEMBL103375 0.81 CREBBP (0.47) L3MBTL1CREBBPJAK2JAK1TYK2
SCHEMBL4653938 0.80 L3MBTL1 (0.65) L3MBTL1CREBBPKDREPHB4NAMPT
SCHEMBL27617536 0.79 L3MBTL1 (0.62) L3MBTL1CREBBPKDREPHB4NAMPT
SCHEMBL103687 0.78 L3MBTL1 (0.50) L3MBTL1CREBBPJAK2JAK1TYK2
SCHEMBL13757017 0.77 L3MBTL1 (0.61) L3MBTL1CREBBPMAPTKDREPHB4
SCHEMBL21596023 0.77 L3MBTL1 (0.61) L3MBTL1CREBBPKDREPHB4NAMPT
SCHEMBL12528608 0.77 L3MBTL1 (0.61) L3MBTL1CREBBPMAPTRAB9AKDR
SCHEMBL11826508 0.77 L3MBTL1 (0.61) L3MBTL1KDRNAMPTFEN1

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 L3MBTL1 3907/4885CREBBP 2579/4885JAK2 1522/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 L3MBTL1 4070/4885CREBBP 3013/4885JAK2 2114/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 L3MBTL1 3907/4885CREBBP 2579/4885JAK2 1522/4885

“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.