SCHEMBL102238

SCHEMBL102238

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
FFAR1 O14842 1/20 0.39
POLQ O75417 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGES O14684 1/20 0.37
AKR1C3 P42330 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADK P55263 1/20 0.35
GRM5 P41594 2/20 0.34
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL103737 0.88 GRM5 (0.42) FFAR1POLQRAB9AGRM5KMT2A
SCHEMBL103633 0.88 PTGDR2 (0.43) PTGDR2FFAR1POLQPTGESAKR1C3
SCHEMBL105136 0.84 PTGDR2 (0.38) PTGDR2FFAR1POLQCYP1A2CYP3A4
SCHEMBL101709 0.77 POLQ (0.43) FFAR1POLQGRM5KMT2ALMNA
SCHEMBL105893 0.76 GRM5 (0.39) PTGDR2FFAR1POLQGRM5LMNA
SCHEMBL103836 0.75 FFAR1 (0.58) PTGDR2FFAR1POLQGRM5LMNA
SCHEMBL103252 0.75 PTGDR2 (0.41) PTGDR2FFAR1POLQPTGESAKR1C3
SCHEMBL103037 0.75 TP53 (0.53) NPC1RAB9AGRM5KMT2A
SCHEMBL103390 0.73 GRM5 (0.38) FFAR1POLQCYP3A4GRM5
SCHEMBL102349 0.73 PTGDR2 (0.38) PTGDR2POLQPTGESAKR1C3NPC1

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

“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.