SCHEMBL852124

SCHEMBL852124

O=C1CCc2ccc3c(c2N1)CCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CRBN Q96SW2 2/20 0.39
PKM P14618 1/20 0.37
CES1 P23141 3/20 0.35
SRD5A1 P18405 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL17744153 0.77 PARP1 (0.44) PARP1MAPTNPC1MAPK13MAPK12
SCHEMBL23189039 0.74 MAPT (0.44) PARP1MAPTALDH1A1CRBNPKM
SCHEMBL30893045 0.73 NPC1 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31734656 0.73 AHR (0.42) PARP1MAPTNPC1MAPK13MAPK12
SCHEMBL15964548 0.72 MAPT (0.42) PARP1MAPTALDH1A1CRBNPKM
SCHEMBL9709031 0.71 CA9 (0.50) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL22958360 0.70 CYP11B1 (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31117301 0.70 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2251074 0.70 PARP1 (0.57) PARP1CES1CYP19A1
SCHEMBL10912069 0.69 SRC (0.40) PARP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP claimed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US claimed
EP-1802303-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2007-07-04 EP claimed
WO-2006034003-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2006-03-30 WO claimed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT PARP1 2057/4885MAPT 30/4885NPC1 2064/4885

“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.