SCHEMBL101863

SCHEMBL101863

C#CCCc1nc2ccccc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NQO2 P16083 1/20 0.35
NPC1 O15118 1/20 0.35
EGFR P00533 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL102478 0.78 PDE10A (0.47) PDE10ALMNAALDH1A1MAPK1POLB
SCHEMBL7074713 0.77 PDE10A (0.56) PDE10ALMNAALDH1A1MAPK1POLB
SCHEMBL11328179 0.74 PDE10A (0.53) PDE10ALMNAALDH1A1MAPK1POLB
SCHEMBL11345237 0.73 PDE10A (0.51) PDE10ALMNAALDH1A1MAPK1
SCHEMBL3735430 0.72 LMNA (0.53) PDE10ALMNAALDH1A1MAPK1POLB
SCHEMBL11412802 0.71 PDE10A (0.50) PDE10ALMNATSHR
SCHEMBL11419112 0.71 PDE10A (0.50) PDE10ALMNATSHR
SCHEMBL4344595 0.71 LMNA (0.51) PDE10ALMNAALDH1A1MAPK1POLB
SCHEMBL16424551 0.71 LMNA (0.51) PDE10ALMNAALDH1A1MAPK1POLB
SCHEMBL4355754 0.71 LMNA (0.56) PDE10ALMNAALDH1A1MAPK1POLB

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
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 PDE10A 2028/4885LMNA 4407/4885ALDH1A1 2153/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PDE10A 2311/4885LMNA 4715/4885ALDH1A1 2496/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PDE10A 2028/4885LMNA 4407/4885ALDH1A1 2153/4885

“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.