SCHEMBL2961987

SCHEMBL2961987

CN(C)CCCOc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.60
GRIA3 P42263 1/20 0.60
PDE4D Q08499 1/20 0.60
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 2/20 0.35
FLT3 P36888 1/20 0.35
KDM4E B2RXH2 2/20 0.35
FFAR1 O14842 1/20 0.35
HTR7 P34969 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 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
SCHEMBL1884210 0.87 GRIA1 (0.42) GRIA1GRIA3PDE4DACVR1BTGFBR1
SCHEMBL2961989 0.86 GRIA1 (0.68) GRIA1GRIA3PDE4DACVR1BTGFBR1
SCHEMBL1886583 0.85 GRIA1 (0.67) GRIA1GRIA3PDE4DALDH1A1KDM4E
SCHEMBL1882807 0.85 GRIA1 (0.69) GRIA1GRIA3PDE4DALDH1A1FFAR1
SCHEMBL2963740 0.84 GRIA1 (0.58) GRIA1GRIA3PDE4DALDH1A1KDM4E
SCHEMBL1894138 0.83 GRIA1 (0.66) GRIA1GRIA3PDE4D
SCHEMBL1884996 0.82 GRIA1 (0.79) GRIA1GRIA3PDE4DTGFBR1
SCHEMBL1884643 0.82 GRIA1 (0.69) GRIA1GRIA3PDE4DACVR1BTGFBR1
SCHEMBL30477201 0.80 GRIA1 (0.73) GRIA1GRIA3PDE4DALDH1A1FLT3
Morpholine SCHEMBL2963696 0.79 GRIA1 (0.56) 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 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.