SCHEMBL103633

SCHEMBL103633

O=C(O)N(C(=O)CCC#Cc1ccccn1)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
POLQ O75417 1/20 0.41
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PTGES O14684 1/20 0.36
AKR1C3 P42330 1/20 0.36
GRM4 Q14833 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRM5 P41594 3/20 0.35
MAPT P10636 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.33
TDP1 Q9NUW8 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) PTGDR2POLQFFAR1RAB9APTGES
SCHEMBL103252 0.86 PTGDR2 (0.41) PTGDR2POLQFFAR1ALDH1A1HTT
SCHEMBL102349 0.85 PTGDR2 (0.38) PTGDR2POLQALDH1A1HTTRAB9A
SCHEMBL103737 0.81 GRM5 (0.42) POLQFFAR1ALDH1A1RAB9AGRM5
SCHEMBL101709 0.77 POLQ (0.43) POLQFFAR1ALDH1A1GRM5
SCHEMBL103454 0.76 ALDH1A1 (0.44) ALDH1A1HTTRAB9ASMN1; SMN2RXRA
SCHEMBL105893 0.75 GRM5 (0.39) PTGDR2POLQFFAR1ALDH1A1GRM5
SCHEMBL103833 0.74 PTGDR2 (0.45) PTGDR2FFAR1RAB9AGRM4HDAC6
SCHEMBL104367 0.74 GRM4 (0.54) ALDH1A1HTTRAB9AGRM4HDAC6
SCHEMBL105136 0.73 PTGDR2 (0.38) PTGDR2POLQFFAR1PTGESAKR1C3

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 7 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

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 PTGDR2 327/4885POLQ 4318/4885FFAR1 126/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PTGDR2 307/4885POLQ 4443/4885FFAR1 131/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PTGDR2 327/4885POLQ 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.