SCHEMBL1885605

SCHEMBL1885605

Cc1occc1-c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.60
GRIA3 P42263 1/20 0.60
PDE4D Q08499 1/20 0.60
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 2/20 0.36
GALR3 O60755 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
TSHR P16473 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
SCHEMBL1877319 0.86 GRIA1 (0.73) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1885129 0.82 GRIA1 (0.72) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL2958922 0.82 GRIA1 (0.62) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1883452 0.80 GRIA1 (0.66) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1877800 0.80 GRIA1 (0.66) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL2956888 0.80 GRIA1 (0.62) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1889734 0.80 GRIA1 (0.62) GRIA1GRIA3PDE4DKMT2A
SCHEMBL17856786 0.80 GRIA1 (0.61) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1890916 0.79 GRIA1 (0.78) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1880300 0.77 GRIA1 (0.62) GRIA1GRIA3PDE4DKDM4EALDH1A1

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 32 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
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
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US 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
WO-2006107860-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
WO-2006107859-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA EISAI CO., LTD. (JP) 2006-10-12 WO 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A GRIA1 18/4885GRIA3 16/4885PDE4D 1432/4885
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-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.