SCHEMBL103658

SCHEMBL103658

Clc1cccc(C#CCCc2nc3ccccc3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PDE10A Q9Y233 1/20 0.42
HTR1A P08908 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR7 P34969 4/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
DRD3 P35462 3/20 0.41
DRD1 P21728 2/20 0.41
HTR2C P28335 2/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GRM5 P41594 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL103367 0.85 UBE2T (0.43) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL103079 0.85 GRM5 (0.59) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL101888 0.82 PDE10A (0.43) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL102774 0.82 RAB9A (0.52) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL103069 0.76 HPGD (0.46) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL103042 0.75 DRD2 (0.43) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL101855 0.75 SMN1; SMN2 (0.48) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL102312 0.72 DRD2 (0.53) SMN1; SMN2PDE10ADRD2DRD3RAB9A
SCHEMBL19372016 0.72 UBE2T (0.70) UBE2TASIC3SMN1; SMN2ALOX15HTT
SCHEMBL3920772 0.71 UBE2T (0.56) UBE2TASIC3SMN1; SMN2ALOX15HTT

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 UBE2T 3494/4885ASIC3 352/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 UBE2T 3293/4885ASIC3 451/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 UBE2T 3494/4885ASIC3 352/4885SMN1; SMN2 881/4885

“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.