SCHEMBL6745346

SCHEMBL6745346

COc1ccccc1CCc1cccc2c1C=CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ABCB1 P08183 3/20 0.43
AOC3 Q16853 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 1/20 0.42
NR3C2 P08235 1/20 0.40
IDO1 P14902 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL7195818 0.83 CA1 (0.32) CA1CA2
SCHEMBL30584471 0.80 CA12 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL7333093 0.80 CA12 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL6745352 0.79 ABCB1 (0.45) TAAR1SIGMAR1HRH3ABCB1
SCHEMBL6909824 0.77 DAO (0.31)
SCHEMBL28858018 0.76 TAAR1 (0.75) TAAR1SIGMAR1KCNH2HRH3ABCB1
SCHEMBL6913106 0.74 LIPG (0.35) ALDH1A1
SCHEMBL6745345 0.74 CA1 (0.36) IDO1ALDH1A1CA12CA1CA2
SCHEMBL5698313 0.74 TDP1 (0.30)
SCHEMBL27506183 0.74 TAAR1 (0.40) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063951-A1 Alkaloid halide salts of swainsonine and methods of use GLYCODESIGN HOLDINGS LTD. (CA) 2004-04-01 US disclosed
US-20030105326-A1 Alkaloid halide salts of swainsonine and methods of use DENNIS JAMES W (CA) 2003-06-05 US disclosed
EP-1264832-A1 Alkaloid halide salts of swainsonine and methods of use Glycodesign Inc. (CA) 2002-12-11 EP disclosed
EP-0975632-B1 ALKALOID HALIDE SALTS OF SWAINSONINE AND METHODS OF USE GLYCODESIGN INC (CA) 2002-10-16 EP disclosed
US-6395745-B1 STABLE, CRYSTAL STRUCTURE; PLANT EXTRACT GLYCODESIGN, INC. (CA) 2002-05-28 US disclosed
EP-0975632-A1 ALKALOID HALIDE SALTS OF SWAINSONINE AND METHODS OF USE Glycodesign Inc. (CA) 2000-02-02 EP disclosed
WO-1998046602-A1 ALKALOID HALIDE SALTS OF SWAINSONINE AND METHODS OF USE GLYCODESIGN INC. (CA) 1998-10-22 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-20030105326-A1 Alkaloid halide salts of swainsonine and methods of use SLC6A12, PWWP2B, WNK2 TAAR1 1112/4885SIGMAR1 994/4885KCNH2 139/4885
US-20040063951-A1 Alkaloid halide salts of swainsonine and methods of use SLC6A12, TUBB3, HNMT TAAR1 733/4885SIGMAR1 851/4885KCNH2 281/4885

“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.