SCHEMBL102029

SCHEMBL102029

Brc1cccc2oc(CCC#Cc3ccccn3)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.42
KCNH2 Q12809 2/20 0.42
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
F2 P00734 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 1/20 0.34
HCRTR1 O43613 1/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL103780 0.85 GRM5 (0.41) GRM5KCNH2F2NPC1RAB9A
SCHEMBL102670 0.85 GRM5 (0.43) GRM5KCNH2PIK3CDPIK3CBF2
SCHEMBL101188 0.85 GRM5 (0.46) GRM5KCNH2PIK3CDPIK3CBF2
SCHEMBL102271 0.85 GRM5 (0.41) GRM5KCNH2F2NPC1RAB9A
SCHEMBL102876 0.83 GRM5 (0.39) GRM5KCNH2PIK3CDPIK3CBF2
SCHEMBL102754 0.82 NPC1 (0.47) GRM5NPC1RAB9AMAPTHCRTR1
SCHEMBL103136 0.82 NPC1 (0.55) GRM5KCNH2NPC1RAB9AMAPT
SCHEMBL101633 0.81 GRM5 (0.43) GRM5KCNH2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL103138 0.81 NPC1 (0.54) GRM5KCNH2NPC1RAB9AMAPT
SCHEMBL101884 0.76 PIK3CD (0.39) PIK3CDPIK3CBNPC1RAB9AMAPT

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 1/4885KCNH2 644/4885PIK3CD 2001/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885KCNH2 724/4885PIK3CD 2251/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885KCNH2 644/4885PIK3CD 2001/4885

“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.