SCHEMBL6327631

SCHEMBL6327631

CCOC(=O)C1CC2CC(CN3C[C@H](Br)C[C@H]3C(=O)OCC)CCC2CN1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6330323 1.00 CYP3A4 (0.33) CYP3A4KDM4E
SCHEMBL6337167 0.98 CYP3A4 (0.36) CYP3A4KDM4E
SCHEMBL6339242 0.90 CYP3A4 (0.33) CYP3A4KDM4E
SCHEMBL5595735 0.90 CYP3A4 (0.38) CYP3A4KDM4E
SCHEMBL6335382 0.90 CYP3A4 (0.38) CYP3A4KDM4E
SCHEMBL6328203 0.90 CYP3A4 (0.33) CYP3A4KDM4E
SCHEMBL6326977 0.90 CYP3A4 (0.38) CYP3A4KDM4E
SCHEMBL6328132 0.89 NR1H2 (0.37)
SCHEMBL6504924 0.89 MMP2 (0.38) CYP3A4KDM4E
SCHEMBL6330260 0.89 CYP3A4 (0.33) CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 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-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 CYP3A4 3320/4885KDM4E 2406/4885

“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.