SCHEMBL17259283

SCHEMBL17259283

CCc1c(C=O)nn(-c2ccccc2)c1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
CACNA1H O95180 4/20 0.43
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CACNA1G O43497 3/20 0.36
KCNH2 Q12809 3/20 0.36
NR4A3 Q92570 1/20 0.36
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
HTR6 P50406 2/20 0.33
MDM2 Q00987 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL17259234 0.83 CACNA1H (0.53) KDM4CCACNA1HLMNAHTTALDH1A1
SCHEMBL23400209 0.79 CACNA1H (0.43) CACNA1HLMNAALDH1A1KDM4EHSD17B10
SCHEMBL17259280 0.77 CACNA1H (0.46) CACNA1HHTTALDH1A1KDM4EHSD17B10
SCHEMBL17259271 0.74 CACNA1H (0.49) CACNA1HALDH1A1KDM4EHSD17B10CACNA1G
SCHEMBL17259302 0.74 ALDH1A1 (0.55) HTTALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL23399025 0.73 CACNA1H (0.44) KDM4CCACNA1HLMNAALDH1A1CACNA1G
SCHEMBL23399748 0.71 USP2 (0.41) CACNA1HLMNAALDH1A1KDM4EHSD17B10
SCHEMBL17259265 0.71 CACNA1H (0.76) CACNA1HCACNA1GKCNH2POLBHTR6
SCHEMBL23398715 0.70 NR4A3 (0.41) CACNA1HLMNAALDH1A1CACNA1GKCNH2
SCHEMBL3300596 0.70 KCNH2 (0.52) KDM4CCACNA1HLMNAALDH1A1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US disclosed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 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-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G KDM4C 3375/4885CACNA1H 9/4885LMNA 2619/4885

“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.