SCHEMBL103836

SCHEMBL103836

O=C(O)CCC#Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 1/20 0.45
FFAR4 Q5NUL3 2/20 0.42
GRM5 P41594 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLQ O75417 1/20 0.40
PTPRA P18433 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5261892 0.82 HDAC4 (0.53) FFAR1SMN1; SMN2KCNH2LMNAL3MBTL1
SCHEMBL103725 0.80 GRM5 (0.49) FFAR1ALDH1A1GRM5SMN1; SMN2LMNA
SCHEMBL101709 0.80 POLQ (0.43) FFAR1ALDH1A1GRM5POLQLMNA
SCHEMBL102810 0.79 GRM5 (0.45) FFAR1ALDH1A1GRM5KCNH2L3MBTL1
SCHEMBL31036128 0.79 GRM5 (0.45) FFAR1ALDH1A1GRM5KCNH2L3MBTL1
SCHEMBL103774 0.76 CYP1A2 (0.44) FFAR1ALDH1A1GRM5KCNH2L3MBTL1
SCHEMBL5260817 0.76 GRM5 (0.59) FFAR1FFAR4GRM5KCNH2
SCHEMBL408472 0.75 GRM5 (0.49) GRM5KCNH2
SCHEMBL101862 0.75 GRM5 (0.45) FFAR1GRM5KCNH2
SCHEMBL103737 0.75 GRM5 (0.42) FFAR1ALDH1A1GRM5POLQ

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 FFAR1 126/4885PTGDR2 327/4885ALDH1A1 2153/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 FFAR1 131/4885PTGDR2 307/4885ALDH1A1 2496/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 FFAR1 126/4885PTGDR2 327/4885ALDH1A1 2153/4885

“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.