SCHEMBL102312

SCHEMBL102312

Clc1cccc2sc(CCC#Cc3ccccn3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
PDE10A Q9Y233 2/20 0.42
PSMB8 P28062 1/20 0.41
GRM5 P41594 6/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1B1 P15121 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL101842 0.85 GRM5 (0.43) DRD2DRD4DRD3PDE10AGRM5
SCHEMBL101447 0.85 GRM5 (0.46) DRD2DRD4DRD3PDE10AGRM5
SCHEMBL102774 0.82 RAB9A (0.52) DRD2DRD4DRD3PDE10AGRM5
SCHEMBL103003 0.78 PDE10A (0.44) DRD2DRD4DRD3PDE10AGRM5
SCHEMBL101754 0.78 GRM5 (0.43) DRD2DRD4DRD3PDE10AGRM5
SCHEMBL102627 0.77 LMNA (0.50) DRD2DRD4DRD3PDE10APSMB8
SCHEMBL103429 0.75 GRM5 (0.50) DRD2DRD4DRD3PDE10AGRM5
SCHEMBL102081 0.74 PDE10A (0.45) PDE10AGRM5
SCHEMBL103780 0.73 GRM5 (0.41) PDE10AGRM5MAPTNPC1RAB9A
SCHEMBL395022 0.73 PDE10A (0.40) DRD2DRD4DRD3PDE10AGRM5

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 9 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

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 DRD2 295/4885DRD4 510/4885DRD3 367/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 DRD2 282/4885DRD4 541/4885DRD3 420/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 DRD2 295/4885DRD4 510/4885DRD3 367/4885

“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.