SCHEMBL103301

SCHEMBL103301

C#CCCc1nc2cccc(C#N)c2o1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.40
PSMB5 P28074 1/20 0.40
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CEPT1 Q9Y6K0 1/20 0.34
MTNR1A P48039 11/20 0.33
MTNR1B P49286 11/20 0.33
ELANE P08246 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL102232 0.81 PSMB8 (0.50) PSMB8PSMB5NPC1MAPTRAB9A
SCHEMBL103297 0.79 PIK3CD (0.39) NPC1MAPTRAB9AMTNR1AMTNR1B
SCHEMBL103267 0.79 NPC1 (0.38) NPC1MAPTRAB9AMTNR1AMTNR1B
SCHEMBL103052 0.79 PIK3CD (0.39) PSMB8PSMB5NPC1MAPTRAB9A
SCHEMBL3262100 0.79 PSMB8 (0.41) PSMB8PSMB5NPC1MAPTRAB9A
SCHEMBL102890 0.77 NPC1 (0.36) PSMB8PSMB5NPC1MAPTRAB9A
SCHEMBL105071 0.76 MTNR1A (0.38) NPC1MAPTRAB9AMTNR1AMTNR1B
SCHEMBL100737 0.72 MAPT (0.70) PSMB8NPC1MAPTRAB9ALOXL2
SCHEMBL12778292 0.70 PSMB8 (0.44) PSMB8PSMB5CEPT1CA1CA2
SCHEMBL13082510 0.70 PSMB8 (0.44) PSMB8PSMB5MAPTCEPT1MTNR1A

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 7 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

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 PSMB8 4230/4885PSMB5 926/4885NPC1 949/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PSMB8 4600/4885PSMB5 1361/4885NPC1 817/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PSMB8 4230/4885PSMB5 926/4885NPC1 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.