SCHEMBL4189307

SCHEMBL4189307

O=C(O)c1ccc(CCC#Cc2ccccn2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
GRM5 P41594 4/20 0.39
PTPRG P23470 2/20 0.38
PTPRC P08575 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL13517269 0.80 FFAR1 (0.41) FFAR1PTGDR2GRM5MEN1KMT2A
SCHEMBL4189309 0.77 FFAR1 (0.41) FFAR1PTGDR2GRM5MEN1KMT2A
SCHEMBL13517268 0.76 PTGDR2 (0.41) FFAR1PTGDR2GRM5TSHRKDM4A
SCHEMBL5260817 0.76 GRM5 (0.59) FFAR1GRM5FFAR4
SCHEMBL5256988 0.76 GRM5 (0.65) PTGDR2GRM5
SCHEMBL5310730 0.71 GRM5 (0.57) FFAR1GRM5
SCHEMBL103836 0.70 FFAR1 (0.58) FFAR1PTGDR2GRM5FFAR4SMN1; SMN2
SCHEMBL5703277 0.69 FFAR1 (0.50) FFAR1GRM5FFAR4
SCHEMBL14966805 0.69 FFAR1 (0.50) FFAR1MEN1RECQLBLMKMT2A
SCHEMBL104575 0.68 CASP3 (0.44) PTGDR2GRM5MEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US 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 (2 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 FFAR1 131/4885PTGDR2 307/4885GRM5 1/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 FFAR1 126/4885PTGDR2 327/4885GRM5 1/4885

“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.