SCHEMBL17259261

SCHEMBL17259261

CC(C)Cc1cc(CBr)nn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.60
CACNA1G O43497 9/20 0.60
CACNA1H O95180 9/20 0.60
HTR6 P50406 8/20 0.54
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL17259313 0.85 KCNH2 (0.49) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3300740 0.85 KCNH2 (0.60) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259259 0.85 KCNH2 (0.60) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259227 0.82 KCNH2 (0.67) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL13423350 0.79 KCNH2 (0.53) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259317 0.78 HTR6 (0.48) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL23402955 0.78 KCNH2 (0.52) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259273 0.78 KCNH2 (0.53) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL16808042 0.77 KCNH2 (0.52) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL28645869 0.76 CNR1 (0.42) KCNH2CACNA1GCACNA1HHTR6ALDH1A1

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 KCNH2 33/4885CACNA1G 3/4885CACNA1H 9/4885

“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.