SCHEMBL6358647

SCHEMBL6358647

COCOC1CC2CC(=O)C(C(=O)OC)C1N2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BRD4 O60885 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL6358677 0.85 ALDH1A1 (0.35) ALDH1A1SLC6A3BRD4HTR3EHTR3B
SCHEMBL6357052 0.77 ALDH1A1 (0.36) ALDH1A1BRD4
SCHEMBL6357295 0.77 ALDH1A1 (0.32) ALDH1A1BRD4
SCHEMBL5402088 0.71 CYP1A2 (0.38) ALDH1A1SLC6A3BRD4
SCHEMBL5412750 0.71 CYP1A2 (0.43) ALDH1A1SLC6A3BRD4
SCHEMBL5622288 0.71 CYP1A2 (0.38) ALDH1A1SLC6A3BRD4
SCHEMBL5401654 0.71 CYP1A2 (0.38) ALDH1A1SLC6A3BRD4
SCHEMBL5416984 0.71 CYP1A2 (0.43) ALDH1A1SLC6A3BRD4
SCHEMBL5412755 0.71 CYP1A2 (0.43) ALDH1A1SLC6A3BRD4
SCHEMBL5407607 0.71 CYP1A2 (0.38) ALDH1A1SLC6A3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996619-B1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX INC (US) 2005-01-05 EP claimed
EP-0996619-B1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX INC (US) 2005-01-05 EP disclosed
EP-1493744-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2005-01-05 EP disclosed
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US disclosed
US-6353105-B1 INHIBITORS OF 5-HYDROXY-TRYPTAMINE REUPTAKE OF A MONOAMINE TRANSPORTER; ANALOGS OF COCAINE; ORGANIX, INC. 2002-03-05 US disclosed
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-01-24 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-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 ALDH1A1 614/4885SLC6A3 3/4885BRD4 4271/4885

“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.