SCHEMBL103375

SCHEMBL103375

C#CCCn1cc(-c2ccccc2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.47
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
STAT3 P40763 3/20 0.42
JAK3 P52333 3/20 0.42
PDK2 Q15119 7/20 0.37
GRM4 Q14833 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK3 Q15120 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
GRM5 P41594 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34

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
SCHEMBL10094629 0.81 CREBBP (0.51) CREBBPPDK2GRM4PDK1PDK3
SCHEMBL102258 0.81 L3MBTL1 (0.56) CREBBPJAK2JAK1TYK2STAT3
SCHEMBL102990 0.77 CREBBP (0.41) CREBBPJAK2JAK1TYK2STAT3
SCHEMBL10094644 0.76 CREBBP (0.69) CREBBPPDK2L3MBTL1ADORA2AADORA2B
SCHEMBL10094623 0.76 PDK2 (0.54) CREBBPJAK2PDK2GRM4L3MBTL1
SCHEMBL28822500 0.74 SIGMAR1 (0.51) CREBBPJAK2JAK1TYK2JAK3
SCHEMBL10094625 0.74 BRD4 (0.54) CREBBPPDK2GRM4SMARCA2SMARCA4
SCHEMBL394277 0.73 KMT2A (0.36) JAK2JAK1TYK2JAK3
SCHEMBL103796 0.73 CREBBP (0.46) CREBBPL3MBTL1
SCHEMBL395312 0.71 P2RX7 (0.40)

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 CREBBP 2579/4885JAK2 1522/4885JAK1 2225/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CREBBP 3013/4885JAK2 2114/4885JAK1 2890/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CREBBP 2579/4885JAK2 1522/4885JAK1 2225/4885

“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.