SCHEMBL101447

SCHEMBL101447

Fc1cccc2sc(CCC#Cc3ccccn3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 5/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
PRNP P04156 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 1/20 0.38
AKR1B1 P15121 2/20 0.37
AKR1A1 P14550 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
SCHEMBL102312 0.85 DRD2 (0.53) GRM5SMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL101842 0.85 GRM5 (0.43) GRM5RAB9AGAAALDH1A1NPC1
SCHEMBL102774 0.82 RAB9A (0.52) GRM5SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL101754 0.80 GRM5 (0.43) GRM5DRD2DRD4DRD3PDE10A
SCHEMBL103429 0.80 GRM5 (0.50) GRM5SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL102576 0.76 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AGAAALDH1A1NPC1
SCHEMBL102081 0.74 PDE10A (0.45) GRM5PDE10A
SCHEMBL101188 0.73 GRM5 (0.46) GRM5RAB9ANPC1KDM4EMAPT
SCHEMBL103367 0.72 UBE2T (0.43) GRM5SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL1927918 0.72 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AGAAALDH1A1NPC1

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 1/4885SMN1; SMN2 881/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885SMN1; SMN2 1094/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885SMN1; SMN2 881/4885RAB9A 1458/4885

“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.