SCHEMBL1879827

SCHEMBL1879827

N#Cc1ccccc1-c1cc(-c2ccccn2)cn(Cc2ccoc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.58
GRIA3 P42263 1/20 0.58
PDE4D Q08499 1/20 0.58
GRM5 P41594 2/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
DPP4 P27487 1/20 0.33
ADORA2A P29274 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
CTSA P10619 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP19A1 P11511 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1885896 0.88 GRIA1 (0.68) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL2953631 0.81 GRIA1 (0.77) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1885015 0.80 GRIA1 (0.66) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL1891395 0.78 GRIA1 (0.62) GRIA1GRIA3PDE4DGRM5
SCHEMBL1883493 0.77 GRIA1 (0.60) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1882804 0.75 GRIA1 (0.55) GRIA1GRIA3PDE4D
SCHEMBL1879971 0.74 GRIA1 (0.57) GRIA1GRIA3PDE4DGRM5KDM4E
Perampanel SCHEMBL4214584 0.74 GRIA1 (1.00) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1884996 0.74 GRIA1 (0.79) GRIA1GRIA3PDE4DGRM5GABRA1
Perampanel SCHEMBL194370 0.74 GRIA1 (1.00) GRIA1GRIA3PDE4DGRM5GABRA1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP claimed
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US claimed
US-6949571-B2 1,2-dihydropyridine compounds, process for preparation of the same and use thereof EISAI CO., LTD. (JP) 2005-09-27 US claimed
US-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof CATALYST PHARMACEUTICALS, INC. 2004-02-05 US claimed
EP-1300396-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Eisai Co., Ltd. (JP) 2003-04-09 EP claimed
US-7939549-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-10 US disclosed
EP-2254577-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN Eisai R&D Management Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100297181-A1 AMPA Receptor Antagonists for Epilepsy, Mental Disorders or Deficits in Sensory Organ EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-25 US disclosed
US-20100256191-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR EPILEPSY EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-07 US disclosed
US-20100222354-A1 AMPA Receptor Antagonists and Aldose Reductase Inhibitors for Neuropathic Pain EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-09-02 US disclosed
US-20100179193-A1 AMPA Receptor Antagonists and Zonisamide for Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD (JP) 2010-07-15 US disclosed
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-01 US disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed
US-20060276510-A1 Dihydropyridine compounds and compositions for headaches EISAI CO. LTD. (JP) 2006-12-07 US disclosed
US-20060270709-A1 Dihydropyridine compounds and compositions for headaches EISAI CO. LTD. (JP) 2006-11-30 US disclosed
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-6949571-B2 1,2-dihydropyridine compounds, process for preparation of the same and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof CATALYST PHARMACEUTICALS, INC. 2004-02-05 US disclosed
EP-1300396-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Eisai Co., Ltd. (JP) 2003-04-09 EP 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 (10 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-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain ACHE, CHRNA5, CHRNA2 GRIA1 70/4885GRIA3 90/4885PDE4D 800/4885
US-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof GRIK1, GRIK2, GRIK4 GRIA1 14/4885GRIA3 58/4885PDE4D 2584/4885
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof GRIK1, GRIK2, GRIK5 GRIA1 24/4885GRIA3 46/4885PDE4D 1607/4885
US-20100256191-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR EPILEPSY GRIK5, GABRE, GABRA5 GRIA1 47/4885GRIA3 34/4885PDE4D 1445/4885
US-20100179193-A1 AMPA Receptor Antagonists and Zonisamide for Neuropathic Pain CHRNA5, GRIN3A, CHRNA2 GRIA1 70/4885GRIA3 60/4885PDE4D 1263/4885
US-20060270709-A1 Dihydropyridine compounds and compositions for headaches GRIK5, CHRNA5, GRIN1 GRIA1 38/4885GRIA3 63/4885PDE4D 554/4885
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses QDPR, PMP22, MAG GRIA1 449/4885GRIA3 663/4885PDE4D 679/4885
US-20100222354-A1 AMPA Receptor Antagonists and Aldose Reductase Inhibitors for Neuropathic Pain AKR1B1, AKR1C1, AKR1C2 GRIA1 24/4885GRIA3 56/4885PDE4D 2521/4885
US-20060276510-A1 Dihydropyridine compounds and compositions for headaches QDPR, ACHE, HNMT GRIA1 1702/4885GRIA3 1816/4885PDE4D 47/4885
US-20100297181-A1 AMPA Receptor Antagonists for Epilepsy, Mental Disorders or Deficits in Sensory Organ GRIK5, GRIK4, GRIK1 GRIA1 34/4885GRIA3 31/4885PDE4D 1075/4885

“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.