SCHEMBL102876

SCHEMBL102876

C(#Cc1ccccn1)CCc1nc2c(-c3ccccc3)cccc2o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CA P42336 2/20 0.38
F2 P00734 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HCRTR1 O43613 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL102271 0.83 GRM5 (0.41) GRM5F2KCNH2PDE10ANPC1
SCHEMBL101188 0.83 GRM5 (0.46) GRM5PIK3CDPIK3CBF2KCNH2
SCHEMBL102670 0.83 GRM5 (0.43) GRM5PIK3CDPIK3CBF2KCNH2
SCHEMBL102029 0.83 GRM5 (0.42) GRM5PIK3CDPIK3CBF2KCNH2
SCHEMBL103780 0.83 GRM5 (0.41) GRM5F2KCNH2PDE10ANPC1
SCHEMBL102754 0.81 NPC1 (0.47) GRM5PDE10ANPC1RAB9AHCRTR1
SCHEMBL103136 0.80 NPC1 (0.55) GRM5KCNH2PDE10ANPC1RAB9A
SCHEMBL101633 0.79 GRM5 (0.43) GRM5KCNH2PDE10ANPC1RAB9A
Hydrochloric Acid SCHEMBL103138 0.79 NPC1 (0.54) GRM5KCNH2PDE10ANPC1RAB9A
SCHEMBL101132 0.75 GRM5 (0.43) GRM5KCNH2

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 1/4885PIK3CD 2001/4885PIK3CB 2024/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885PIK3CD 2251/4885PIK3CB 2541/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885PIK3CD 2001/4885PIK3CB 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.