SCHEMBL4189309

SCHEMBL4189309

O=C(O)c1cccc(CCC#Cc2ccccn2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GRM5 P41594 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
PDE10A Q9Y233 1/20 0.36
FOLH1 Q04609 1/20 0.35
POLQ O75417 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.83 FFAR1 (0.41) FFAR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13517268 0.77 PTGDR2 (0.41) FFAR1PTGDR2GRM5TSHRPDE10A
SCHEMBL4189307 0.77 FFAR1 (0.45) FFAR1MEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL3723974 0.77 PTGDR2 (0.49) FFAR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL103836 0.71 FFAR1 (0.58) FFAR1LMNASMN1; SMN2PTGDR2GRM5
SCHEMBL28882364 0.71 SMN1; SMN2 (0.57) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL5260817 0.71 GRM5 (0.59) FFAR1GRM5PDE10A
SCHEMBL104575 0.69 CASP3 (0.44) MEN1KMT2ALMNASMN1; SMN2PTGDR2
SCHEMBL28204179 0.69 TSHR (0.55) LMNASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL5256988 0.69 GRM5 (0.65) PTGDR2GRM5PDE10A

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 131/4885MEN1 3565/4885KMT2A 1833/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 FFAR1 126/4885MEN1 4118/4885KMT2A 2181/4885

“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.