SCHEMBL6745345

SCHEMBL6745345

COc1ccccc1C(C)c1cccc2c1C=CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ACHE P22303 3/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
HTR5A P47898 1/20 0.34
DRD2 P14416 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
SCHEMBL7186336 0.87 CA1 (0.32) CA1CA2HPGDGABRA1GABRG2
SCHEMBL7333093 0.81 CA12 (0.41) CA1CA2CA12CA4CA7
SCHEMBL30584471 0.81 CA12 (0.41) CA1CA2CA12CA4CA7
SCHEMBL9303081 0.77 CA1 (0.60) CA1CA2CA12CA4CA7
SCHEMBL6909918 0.76 GABRA1 (0.41) CA1CA2HPGDGABRA1GABRG2
SCHEMBL6745346 0.74 TAAR1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL29734610 0.73 CYP1A2 (0.41) CA1CA2ALDH1A1HPGDGABRA1
SCHEMBL5698312 0.73 P2RX7 (0.36) CA1CA2HPGDGABRA1GABRG2
SCHEMBL4408091 0.70 PPARG (0.38) ALDH1A1MAPTHPGDHTT
SCHEMBL5344889 0.69 CA1 (0.35) CA1CA2CA12CA9HPGD

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 CA1 477/4885CA2 1032/4885CA12 373/4885
US-20040063951-A1 Alkaloid halide salts of swainsonine and methods of use SLC6A12, TUBB3, HNMT CA1 388/4885CA2 1110/4885CA12 217/4885

“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.