SCHEMBL5622288

SCHEMBL5622288

COCOC1CC2CC(=O)[C@H](C(=O)OC)[C@@H]1N2C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
BRD4 O60885 2/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A4 P31645 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL5402082 1.00 CYP1A2 (0.38) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5407607 1.00 CYP1A2 (0.38) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5398047 1.00 CYP1A2 (0.38) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5407612 1.00 CYP1A2 (0.38) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5402088 1.00 CYP1A2 (0.38) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5401654 1.00 CYP1A2 (0.38) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5406235 0.86 CYP1A2 (0.41) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5406227 0.86 CYP1A2 (0.41) CYP1A2HIF1ABRD4SLC6A3SLC6A4
SCHEMBL5402537 0.79 SLC6A3 (0.50) CYP1A2HIF1ASLC6A3SLC6A4
SCHEMBL5398287 0.79 SLC6A3 (0.50) CYP1A2HIF1ASLC6A3SLC6A4

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 1 patent. 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

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-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 CYP1A2 235/4885HIF1A 3437/4885BRD4 4241/4885

“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.