SCHEMBL2963740

SCHEMBL2963740

N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2OCCCN2CCCCC2)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
HRH3 Q9Y5N1 3/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
PDGFRB P09619 1/20 0.41
TRPM2 O94759 1/20 0.41
PARP1 P09874 1/20 0.41
HTR1A P08908 3/20 0.40
HTR7 P34969 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 2/20 0.39

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
SCHEMBL2963742 0.87 GRIA1 (0.65) GRIA1GRIA3PDE4DHRH3HRH1
SCHEMBL1879914 0.86 GRIA1 (0.64) GRIA1GRIA3PDE4DHRH3KDM4E
SCHEMBL2961987 0.84 GRIA1 (0.60) GRIA1GRIA3PDE4DALDH1A1KDM4E
SCHEMBL1884286 0.84 GRIA1 (0.63) GRIA1GRIA3PDE4DHRH3ALDH1A1
SCHEMBL1882097 0.82 GRIA1 (0.65) GRIA1GRIA3PDE4D
SCHEMBL1882807 0.81 GRIA1 (0.69) GRIA1GRIA3PDE4DALDH1A1KMT2A
SCHEMBL1881695 0.81 GRIA1 (0.66) GRIA1GRIA3PDE4D
SCHEMBL1884996 0.80 GRIA1 (0.79) GRIA1GRIA3PDE4D
SCHEMBL2961942 0.79 GRIA1 (0.56) GRIA1GRIA3PDE4DALDH1A1PKM
SCHEMBL2953916 0.79 GRIA1 (0.54) GRIA1GRIA3PDE4DHRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759367-B2 1,2-dihydropiridin-2-one compounds such as 3-(2-cyanophenyl)-1-phenyl-5-(2-pyridyl)-1,2-dihydropyridin-2-one, used as immunomodulators or antiinflammatory agents, and for the prevention or treatment of neurodegenerative diseases, such as demyelinating disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-20 US disclosed
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 disclosed
EP-1465626-B1 PHARMACEUTICAL COMPOSITIONS (KIT) COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY (OR AN ANTIINFLAMMATORY) AGENT AND THEIR USES EISAI R&D MAN CO LTD (JP) 2008-09-03 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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

“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.