SCHEMBL12659697

SCHEMBL12659697

CCN(CC)Cc1sccc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
RIPK1 Q13546 1/20 0.49
ALDH1A1 P00352 2/20 0.41
HSD11B1 P28845 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ADRA1D P25100 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 2/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9640110 0.78 ALOX5 (0.55) ALOX5RIPK1ALDH1A1HSD11B1ADRA1D
SCHEMBL18884311 0.75 ALOX5 (0.56) ALOX5RIPK1ALDH1A1HSD11B1ADRA1D
SCHEMBL256017 0.75
SCHEMBL3023589 0.73
SCHEMBL8815622 0.72 ALOX5 (0.44) ALOX5RIPK1ALDH1A1HSD11B1ADRA1D
SCHEMBL7451426 0.71
SCHEMBL30954534 0.71 ALOX5 (0.43) ALOX5RIPK1ALDH1A1HSD11B1ADRA1D
SCHEMBL6617196 0.71 ALOX5 (0.43) ALOX5RIPK1ALDH1A1HSD11B1ADRA1D
SCHEMBL10445253 0.70
SCHEMBL21142475 0.69 ALOX5 (0.42) ALOX5RIPK1ALDH1A1ADRA1DKDM4E

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 7 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
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-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
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF NAGATO SATOSHI 2009-11-05 US 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
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

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-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 ALOX5 3200/4885RIPK1 1345/4885ALDH1A1 622/4885

“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.