SCHEMBL5421413

SCHEMBL5421413

CCOCCOCc1c(Br)ccc(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTT P42858 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
SCHEMBL5421640 0.80 ADRB2 (0.32) —
SCHEMBL5417502 0.80 EED (0.36) HPGDNPC1RAB9AGAAL3MBTL1
SCHEMBL24725043 0.77 ADRA1A (0.31) —
SCHEMBL30099974 0.77 ADRA1A (0.31) —
SCHEMBL5421412 0.74 LMNA (0.38) —
SCHEMBL5456962 0.74 — —
SCHEMBL3718653 0.74 CYP1A2 (0.33) —
SCHEMBL23513063 0.74 — —
SCHEMBL25356082 0.72 PKM (0.40) L3MBTL1
SCHEMBL5424200 0.71 SLC6A2 (0.36) HPGDNPC1RAB9AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 — — US disclosed
EP-1551822-B1 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LILLY CO ELI (US) 2006-12-20 — — EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 — — US disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 — — EP disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2004-01-29 — — 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 (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-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 HPGD 195/4885NPC1 1375/4885RAB9A 2507/4885

“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.

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