SCHEMBL102302

SCHEMBL102302

O=C1c2ccccc2C(=O)N1CCC#Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM5 P41594 3/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 1/20 0.44
PGK1 P00558 1/20 0.44
HTR1A P08908 1/20 0.43
GLS O94925 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL104608 0.92 HSD17B10 (0.51) HSD17B10MEN1ALDH1A1PKMKMT2A
SCHEMBL13605787 0.82 PGK1 (0.50) HSD17B10MEN1ALDH1A1KMT2AGRM5
SCHEMBL6123101 0.79 GRM5 (0.44) HSD17B10MEN1ALDH1A1PKMKMT2A
SCHEMBL101954 0.79 KDM4E (0.48) GRM5KDM4ECYP1A2HTR1ASMN1; SMN2
SCHEMBL102071 0.77 PGK1 (0.43) HSD17B10MEN1ALDH1A1PKMKMT2A
SCHEMBL6122839 0.76 RAB9A (0.50) GRM5CYP1A2PGK1HTR1AGLS
SCHEMBL6123105 0.76 ALDH1A1 (0.50) HSD17B10MEN1ALDH1A1PKMKMT2A
SCHEMBL20796153 0.76 PGK1 (0.44) HSD17B10MEN1ALDH1A1KMT2APGK1
SCHEMBL101676 0.75 GRM5 (0.40) GRM5RAB9ASMN1; SMN2
SCHEMBL102279 0.75 GLS (0.47) HSD17B10MEN1KMT2ACYP1A2PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
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 HSD17B10 1829/4885MEN1 4118/4885ALDH1A1 2153/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HSD17B10 2127/4885MEN1 3565/4885ALDH1A1 2496/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HSD17B10 1829/4885MEN1 4118/4885ALDH1A1 2153/4885

“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.