SCHEMBL1233682

SCHEMBL1233682

CC(C)(C)OC(=O)N1CCCn2c(nc3cnc4cc(OCc5ccccc5)ccc4c32)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.44
NMT1 P30419 1/20 0.42
PRMT5 O14744 5/20 0.41
TLR9 Q9NR96 4/20 0.41
YAP1 P46937 3/20 0.41
TLR7 Q9NYK1 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
GCK P35557 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL1232944 0.95 CYP8B1 (0.47) CYP8B1NMT1PRMT5TLR9YAP1
SCHEMBL1233426 0.86 TLR9 (0.42) CYP8B1PRMT5TLR9YAP1TLR7
SCHEMBL1233316 0.84 CKS1B (0.43) GPR119
SCHEMBL1233797 0.83 CYP8B1 (0.38) CYP8B1
SCHEMBL1231794 0.81 TLR9 (0.44) CYP8B1PRMT5TLR9YAP1TLR7
SCHEMBL1233388 0.80 PRMT5 (0.39) CYP8B1NMT1PRMT5KIT
SCHEMBL1231827 0.78 GBA1 (0.44)
SCHEMBL1232966 0.75 MCHR1 (0.49) NMT1PRMT5KIT
SCHEMBL311936 0.73 PRKDC (0.45) NMT1PRMT5KIT
SCHEMBL1233343 0.72 GBA1 (0.42) TLR7

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 3218/4885NMT1 4291/4885PRMT5 630/4885

“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.