SCHEMBL103737

SCHEMBL103737

O=C(O)N(C(=O)CCC#Cc1ccccn1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
POLQ O75417 1/20 0.40
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL102238 0.88 PTGDR2 (0.42) GRM5POLQFFAR1KMT2ARAB9A
SCHEMBL104380 0.85 GRM5 (0.42) GRM5POLQFFAR1KDM4EALDH1A1
SCHEMBL105893 0.84 GRM5 (0.39) GRM5POLQFFAR1KDM4EALDH1A1
SCHEMBL103390 0.84 GRM5 (0.38) GRM5POLQFFAR1KDM4EALDH1A1
SCHEMBL5310418 0.82 GRM5 (0.40) GRM5POLQFFAR1KDM4EALDH1A1
SCHEMBL103633 0.81 PTGDR2 (0.43) GRM5POLQFFAR1ALDH1A1TDP1
SCHEMBL102666 0.80 POLQ (0.39) GRM5POLQFFAR1
SCHEMBL101709 0.77 POLQ (0.43) GRM5POLQFFAR1KDM4EALDH1A1
SCHEMBL102664 0.76 POLQ (0.37) GRM5POLQFFAR1KDM4EALDH1A1
SCHEMBL103836 0.75 FFAR1 (0.58) GRM5POLQFFAR1ALDH1A1

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 1/4885POLQ 4318/4885FFAR1 126/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885POLQ 4443/4885FFAR1 131/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885POLQ 4318/4885FFAR1 126/4885

“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.