SCHEMBL13042591

SCHEMBL13042591

Cc1cc(-c2noc(CN3C[C@@H]4C[C@H]3CN4)n2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.55
SCN5A Q14524 2/20 0.36
MCHR2 Q969V1 1/20 0.36
MCHR1 Q99705 1/20 0.36
TLR7 Q9NYK1 3/20 0.34
TRPA1 O75762 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
PLAT P00750 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
TYMS P04818 1/20 0.33
S1PR1 P21453 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 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
SCHEMBL2123539 1.00 GRM2 (0.55) GRM2SCN5AMCHR2MCHR1TLR7
SCHEMBL8120477 0.85 GRM2 (0.55) GRM2SCN5ATRPA1ALDH1A1PLAT
SCHEMBL3090130 0.84 GRM2 (0.62) GRM2SCN5ATRPA1ALDH1A1PLAT
SCHEMBL2122976 0.82 GRM2 (0.76) GRM2SCN5ANPC1ALDH1A1RAB9A
SCHEMBL13180434 0.81 GRM2 (0.63) GRM2SCN5ATRPA1ALDH1A1PLAT
SCHEMBL3085170 0.77 L3MBTL1 (0.36) NPC1RAB9A
SCHEMBL2121482 0.77 GRM2 (0.53) GRM2TLR7NPC1ALDH1A1RAB9A
SCHEMBL30789128 0.77 GRM2 (0.53) GRM2TLR7NPC1ALDH1A1RAB9A
SCHEMBL13123578 0.77 GRM2 (0.53) GRM2TLR7NPC1ALDH1A1RAB9A
SCHEMBL3097255 0.76 GRM2 (0.51) GRM2SCN5AALDH1A1PLATSCN1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280082-A1 Metabotropic Glutamate Receptor Oxadiazole Ligands and Their Use as Potentiators ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-7799792-B2 Metabotropic glutamate receptor oxadiazole ligands and their use as potentiators 841 ASTRAZENECA AB (SE) 2010-09-21 US disclosed
US-7799792-B2 Metabotropic glutamate receptor oxadiazole ligands and their use as potentiators 841 ASTRAZENECA AB (SE) 2010-09-21 US disclosed
US-20080306088-A1 Metabotropic Glutamate Receptor Oxadiazole Ligands and Their Use as Potentiators 841 ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306088-A1 Metabotropic Glutamate Receptor Oxadiazole Ligands and Their Use as Potentiators 841 ASTRAZENECA AB (SE) 2008-12-11 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 (2 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-20100280082-A1 Metabotropic Glutamate Receptor Oxadiazole Ligands and Their Use as Potentiators GRM1, GRM3, GRM2 GRM2 3/4885SCN5A 1294/4885MCHR2 337/4885
US-20080306088-A1 Metabotropic Glutamate Receptor Oxadiazole Ligands and Their Use as Potentiators 841 GRM1, GRIN1, GRM3 GRM2 5/4885SCN5A 1180/4885MCHR2 420/4885

“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.