SCHEMBL102127

SCHEMBL102127

C(#Cc1ccccn1)CCc1cn2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.72
PDE10A Q9Y233 2/20 0.49
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 10/20 0.43
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30485551 1.00 GRM5 (0.72) GRM5PDE10ANPC1RAB9AKDM4E
SCHEMBL14735706 0.89 GRM5 (0.60) GRM5PDE10ANPC1RAB9AKDM4E
Dipraglurant SCHEMBL30079764 0.84 GRM5 (1.00) GRM5PDE10ANPC1RAB9ASMN1; SMN2
Dipraglurant SCHEMBL103033 0.84 GRM5 (1.00) GRM5PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL101135 0.83 GRM5 (0.64) GRM5PDE10ANPC1RAB9AKDM4E
SCHEMBL100452 0.81 GRM5 (0.57) GRM5PDE10ANPC1RAB9AKDM4E
SCHEMBL104046 0.81 GRM5 (0.57) GRM5PDE10ANPC1RAB9AKDM4E
SCHEMBL30795180 0.81 GRM5 (0.57) GRM5PDE10ANPC1RAB9AKDM4E
Dipraglurant SCHEMBL31216254 0.79 GRM5 (0.89) GRM5NPC1RAB9ASMN1; SMN2TP53
Dipraglurant SCHEMBL16597341 0.79 GRM5 (0.89) GRM5NPC1RAB9ASMN1; SMN2TP53

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
EP-1765795-B1 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2013-03-06 EP 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
EP-1765795-B1 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2013-03-06 EP 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 GRM5 1/4885PDE10A 2028/4885NPC1 949/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885PDE10A 2311/4885NPC1 817/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885PDE10A 2028/4885NPC1 949/4885

“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.