SCHEMBL1886583

SCHEMBL1886583

CN(C)CCCOc1cccc(-n2cc(-c3ccccn3)cc(-c3ccccc3C#N)c2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.67
GRIA3 P42263 1/20 0.67
PDE4D Q08499 1/20 0.67
ESR1 P03372 2/20 0.38
CACNA2D1 P54289 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GALR3 O60755 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1884643 0.97 GRIA1 (0.69) GRIA1GRIA3PDE4DESR1FGFR1
SCHEMBL2961989 0.92 GRIA1 (0.68) GRIA1GRIA3PDE4DFGFR1SRC
SCHEMBL1883878 0.90 GRIA1 (0.67) GRIA1GRIA3PDE4DESR1SRC
SCHEMBL1884206 0.89 GRIA1 (0.66) GRIA1GRIA3PDE4DADORA2AADORA1
SCHEMBL1883440 0.86 GRIA1 (0.77) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL2961987 0.85 GRIA1 (0.60) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL1879914 0.84 GRIA1 (0.64) GRIA1GRIA3PDE4DESR1KDM4E
SCHEMBL1883286 0.84 GRIA1 (0.75) GRIA1GRIA3PDE4D
SCHEMBL1881695 0.84 GRIA1 (0.66) GRIA1GRIA3PDE4DESR1CACNA2D1
SCHEMBL1884645 0.84 GRIA1 (0.68) GRIA1GRIA3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2177520-A1 1,5-Di(aryl or heteroaryl)-3-halo-2(1H)-pyridones as intermediates for the preparation of AMPA receptor inhibitors Eisai R&D Management Co., Ltd. (JP) 2010-04-21 EP disclosed
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF NAGATO SATOSHI 2009-11-05 US disclosed
US-7563811-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-21 US disclosed
EP-2053041-A2 1,3,5-Trisubstituted 2(1H)-pyridones as AMPA receptor inhibitors useful for the treatment of eg Parkinson's disease Eisai R&D Management Co., Ltd. (JP) 2009-04-29 EP 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

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-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-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 GRIA1 20/4885GRIA3 28/4885PDE4D 1415/4885

“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.