SCHEMBL923211

SCHEMBL923211

CC(C)c1cncc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.52
GABRB1 P18505 6/20 0.52
GABRB2 P47870 5/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
LMNA P02545 2/20 0.52
SLC6A2 P23975 2/20 0.52
HTR2B P41595 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRA6 Q16445 2/20 0.52
FAAH O00519 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
GABRG2 P18507 1/20 0.52
PTGS1 P23219 1/20 0.52

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
SCHEMBL14803522 0.87 GABRA1 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL26780057 0.85 GABRA1 (0.39) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL16248188 0.84 GABRA1 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL19769047 0.84 RPS6KA3 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL16248187 0.84 GABRA1 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL17485226 0.79 GABRA1 (0.36) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL14803937 0.75 LMNA (0.43) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL19508042 0.74 ADRA1A (0.36) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL15187504 0.74 LMNA (0.31) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL23319807 0.72 GABRA1 (0.37) GABRA1GABRB1LMNASLC6A2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323527-A1 ARYLOXY AMINE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL MODULATORS HOWARD FLOREY INSTITUTE (AU) 2014-10-30 US disclosed
US-8716528-B2 Aryloxy amine compounds and their use as sodium channel modulators HOWARD FLOREY INSTITUTE (AU) 2014-05-06 US disclosed
US-20110021577-A1 ARYLOXY AMINE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL MODULATORS HOWARD FLOREY INSTITUTE (AU) 2011-01-27 US disclosed
WO-2009055869-A1 ARYLOXY AMINE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL MODULATORS HOWARD FLOREY INSTITUTE (AU) 2009-05-07 WO 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 (2 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-20110021577-A1 ARYLOXY AMINE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL MODULATORS TRPV1, TRPA1, TRPV2 GABRA1 467/4885GABRB1 412/4885GABRB2 402/4885
US-20140323527-A1 ARYLOXY AMINE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL MODULATORS TRPV1, TRPA1, TRPV2 GABRA1 467/4885GABRB1 412/4885GABRB2 402/4885

“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.