SCHEMBL103297

SCHEMBL103297

C#CCCc1nc2cccc(C)c2o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
ELANE P08246 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MTNR1A P48039 10/20 0.36
MTNR1B P49286 10/20 0.36
FAAH O00519 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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 0.83 PSMB8 (0.50) ELANEMAPTNPC1RAB9AMTNR1A
SCHEMBL103052 0.82 PIK3CD (0.39) PIK3CDPIK3CBELANEMAPTNPC1
SCHEMBL103267 0.82 NPC1 (0.38) ELANEMAPTNPC1RAB9AMTNR1A
SCHEMBL105071 0.81 MTNR1A (0.38) ELANEMAPTNPC1RAB9AMTNR1A
SCHEMBL103301 0.79 PSMB8 (0.40) ELANEMAPTNPC1RAB9AMTNR1A
SCHEMBL102890 0.79 NPC1 (0.36) ELANEMAPTNPC1RAB9AMTNR1A
SCHEMBL102422 0.76 PIK3CD (0.39) PIK3CDPIK3CBELANEMAPTNPC1
SCHEMBL9846370 0.76 ELANE (0.43) PIK3CDPIK3CAPIK3CBELANEMAPT
SCHEMBL2795401 0.76 ELANE (0.43) PIK3CDPIK3CAPIK3CBELANEMAPT
SCHEMBL103358 0.75 GRM5 (0.42) PIK3CDPIK3CAPIK3CBELANEMAPT

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 PIK3CD 2001/4885PIK3CA 2412/4885PIK3CB 2024/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PIK3CD 2251/4885PIK3CA 2648/4885PIK3CB 2541/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PIK3CD 2001/4885PIK3CA 2412/4885PIK3CB 2024/4885

“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.