SCHEMBL104046

SCHEMBL104046

Clc1cccn2cc(CCC#Cc3ccccn3)nc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.57
PDE10A Q9Y233 3/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL30795180 1.00 GRM5 (0.57) GRM5PDE10AKDM4EALDH1A1PKM
SCHEMBL100452 0.86 GRM5 (0.57) GRM5PDE10AKDM4EALDH1A1PKM
SCHEMBL30794317 0.82 GRM5 (0.40) GRM5PDE10AMAPT
SCHEMBL103615 0.82 GRM5 (0.40) GRM5PDE10AMAPT
SCHEMBL14735706 0.81 GRM5 (0.60) GRM5PDE10AKDM4EALDH1A1NPC1
SCHEMBL102127 0.81 GRM5 (0.72) GRM5PDE10AKDM4EALDH1A1NPC1
SCHEMBL30485551 0.81 GRM5 (0.72) GRM5PDE10AKDM4EALDH1A1NPC1
SCHEMBL103986 0.79 PDE10A (0.42) GRM5PDE10AKDM4EALDH1A1PKM
SCHEMBL102895 0.77 PDE10A (0.47) PDE10AKDM4EALDH1A1PKMNPC1
SCHEMBL101476 0.76 GRM5 (0.69) GRM5PDE10AKCNH2

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 13 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 claimed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US claimed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 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 GRM5 1/4885PDE10A 2028/4885KDM4E 1750/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885PDE10A 2311/4885KDM4E 1986/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885PDE10A 2028/4885KDM4E 1750/4885

“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.