SCHEMBL1233797

SCHEMBL1233797

CC(C)(C)OC(=O)N1CCCn2c(nc3cnc4cc(Br)ccc4c32)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.38
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
BACE1 P56817 3/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR2 Q92731 1/20 0.35
USP30 Q70CQ3 2/20 0.35
CYBB P04839 1/20 0.35
NOX5 Q96PH1 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
NR1H2 P55055 2/20 0.34
MET P08581 1/20 0.34
MAPT P10636 2/20 0.34
PREP P48147 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
SCHEMBL1233316 0.86 CKS1B (0.43) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL1232779 0.83 TLR7 (0.38) BACE1MEN1KMT2AESR2USP30
SCHEMBL205088 0.83 BACE1 (0.34) CYP8B1CKS1BSKP1SKP2BACE1
SCHEMBL1233682 0.83 CYP8B1 (0.44) CYP8B1
SCHEMBL1231827 0.80 GBA1 (0.44) CKS1BSKP1SKP2NR1H2MAPT
SCHEMBL1233856 0.77 MAP4K4 (0.40) BACE1ESR2USP30NR1H2
SCHEMBL1232944 0.77 CYP8B1 (0.47) CYP8B1
SCHEMBL9968767 0.77 NR1H2 (0.44) BACE1ESR2USP30NR1H2MAPT
SCHEMBL25419579 0.74 NR1H2 (0.44) BACE1ESR2USP30NR1H2MAPT
SCHEMBL30138845 0.74 NR1H2 (0.44) BACE1ESR2USP30NR1H2MAPT

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-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 CYP8B1 3218/4885CKS1B 1991/4885SKP1 572/4885

“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.