SCHEMBL103725

SCHEMBL103725

CCOC(=O)CCC#Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CASP1 P29466 1/20 0.39
TOP2A P11388 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL103836 0.80 FFAR1 (0.58) GRM5LMNASMN1; SMN2FFAR1ALDH1A1
SCHEMBL16058713 0.79 GAA (0.59) SMN1; SMN2GAAMEN1KMT2AFFAR1
SCHEMBL29852330 0.79 ALDH1A1 (0.46) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL852762 0.78 GRM5 (0.52) GRM5LMNASMN1; SMN2GAAMEN1
SCHEMBL30898832 0.78 GRM5 (0.52) GRM5LMNASMN1; SMN2GAAMEN1
SCHEMBL102396 0.78 PTGDR2 (0.42) GRM5LMNASMN1; SMN2MEN1KMT2A
SCHEMBL101709 0.77 POLQ (0.43) GRM5LMNAGAAMEN1KMT2A
SCHEMBL408472 0.76 GRM5 (0.49) GRM5
SCHEMBL103833 0.75 PTGDR2 (0.45) GRM5FFAR1MAPT
SCHEMBL6862221 0.73 GRM5 (0.47) GRM5

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 GRM5 1/4885LMNA 4407/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885LMNA 4715/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885LMNA 4407/4885SMN1; SMN2 881/4885

“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.