SCHEMBL5404398

SCHEMBL5404398

COCO[C@@H]1CC2C[C@H](c3ccc4ccccc4c3)[C@H](C(=O)OC)C1N2C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.71
SLC6A4 P31645 12/20 0.71

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
SCHEMBL5406137 1.00 SLC6A3 (0.71) SLC6A3SLC6A4
SCHEMBL5404400 1.00 SLC6A3 (0.71) SLC6A3SLC6A4
SCHEMBL5419410 0.88 SLC6A3 (0.68) SLC6A3SLC6A4
SCHEMBL5405767 0.88 SLC6A3 (0.68) SLC6A3SLC6A4
SCHEMBL5405761 0.88 SLC6A3 (0.68) SLC6A3SLC6A4
SCHEMBL5409315 0.85 SLC6A4 (0.71) SLC6A3SLC6A4
SCHEMBL5419467 0.85 SLC6A4 (0.71) SLC6A3SLC6A4
SCHEMBL5409328 0.85 SLC6A4 (0.71) SLC6A3SLC6A4
SCHEMBL5398055 0.84 SLC6A3 (0.69) SLC6A3SLC6A4
SCHEMBL5398049 0.84 SLC6A3 (0.69) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2007-10-18 US disclosed
US-7199132-B2 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2007-04-03 US disclosed
US-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-06-05 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 (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-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A4 2/4885
US-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A4 2/4885

“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.