SCHEMBL103429

SCHEMBL103429

Fc1ccc2sc(CCC#Cc3ccccn3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 4/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
AKR1B1 P15121 2/20 0.38
AKR1A1 P14550 1/20 0.38
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR7 P34969 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
PDE10A Q9Y233 2/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL102774 0.86 RAB9A (0.52) GRM5DRD2DRD4DRD3NPC1
SCHEMBL101855 0.80 SMN1; SMN2 (0.48) GRM5DRD2DRD4DRD3NPC1
SCHEMBL101447 0.80 GRM5 (0.46) GRM5DRD2DRD4DRD3NPC1
SCHEMBL102474 0.75 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL102531 0.75 DYRK1A (0.40) NPC1RAB9ASMN1; SMN2KMT2AAKR1B1
SCHEMBL101842 0.75 GRM5 (0.43) GRM5DRD2DRD4DRD3NPC1
SCHEMBL102312 0.75 DRD2 (0.53) GRM5DRD2DRD4DRD3NPC1
SCHEMBL103367 0.74 UBE2T (0.43) GRM5DRD2NPC1RAB9ASMN1; SMN2
SCHEMBL5310730 0.74 GRM5 (0.57) GRM5DRD2DRD4DRD3HTR1A
SCHEMBL103817 0.74 GRM5 (0.50) GRM5NPC1RAB9AKMT2APDE10A

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 GRM5 1/4885DRD2 295/4885DRD4 510/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885DRD2 282/4885DRD4 541/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885DRD2 295/4885DRD4 510/4885

“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.