SCHEMBL3756197

SCHEMBL3756197

CC(CCCBr)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.35
AOC3 Q16853 2/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
RIPK1 Q13546 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL1543906 0.88 AOC3 (0.36) AOC3HTTIDO1TDO2RIPK1
SCHEMBL11488183 0.82 CYP17A1 (0.39) AOC3
SCHEMBL9278852 0.82 HTR7 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL12243769 0.82 AOC3 (0.39) CACNA1BAOC3HTTIDO1TDO2
SCHEMBL9232425 0.82 HTR7 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL1045709 0.80 HTT (0.38) CACNA1BAOC3HTTCA1CA2
SCHEMBL10420697 0.80 ADRB2 (0.43) AOC3RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL22649183 0.80 HTR7 (0.39) SLC6A2SLC6A3
SCHEMBL1045711 0.80 TRPA1 (0.40) CACNA1BAOC3HTT
SCHEMBL19022074 0.80 HTR2A (0.41) AOC3IDO1TDO2

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-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 CACNA1B 76/4885AOC3 1190/4885HTT 1097/4885

“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.