SCHEMBL6529288

SCHEMBL6529288

OCC(CCBr)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.39
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH1 P35367 3/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
GSR P00390 1/20 0.35
HTR2A P28223 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.34
SRC P12931 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
SCHEMBL7986402 0.86 HRH1 (0.42) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL1310414 0.85 TRPA1 (0.44) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL10812162 0.82 HRH1 (0.39) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL8037637 0.82 TRPA1 (0.42) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL8274952 0.82 TRPA1 (0.48) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL1546696 0.82 TRPA1 (0.48) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL1507699 0.82 TRPA1 (0.48) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL148756 0.81 TRPA1 (0.48) TRPA1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL657128 0.79 GABBR2 (0.41) GABBR2GABBR1CYP2D6CYP1A2SMN1; SMN2
SCHEMBL28830488 0.78 TRPA1 (0.41) TRPA1GABBR2GABBR1CYP2D6CYP1A2

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-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TRPA1 184/4885GABBR2 446/4885GABBR1 918/4885

“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.