SCHEMBL4410015

SCHEMBL4410015

CC(C)(C)OC(=O)N1CCN2C(=O)c3c(cccc3-c3ccccc3F)OCC2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
USP30 Q70CQ3 2/20 0.41
HDAC6 Q9UBN7 2/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PDK4 Q16654 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
TP53 P04637 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPK1 P28482 1/20 0.36
KRAS P01116 3/20 0.36
BACE1 P56817 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL4411286 0.90 USP30 (0.44) USP30HDAC6SMARCA2SMARCA4PBRM1
SCHEMBL4418327 0.89 USP30 (0.40) SCN9AUSP30HDAC6SMARCA2SMARCA4
SCHEMBL4415912 0.88 USP30 (0.41) SCN9AUSP30HDAC6SMARCA2SMARCA4
SCHEMBL4408213 0.86 USP30 (0.43) SCN9AUSP30HDAC6SMARCA2SMARCA4
SCHEMBL4415998 0.85 USP30 (0.42) SCN9AUSP30HDAC6TP53HDAC8
SCHEMBL4413014 0.85 GPR119 (0.40) SCN9AUSP30HDAC6SMARCA2SMARCA4
SCHEMBL4412319 0.85 USP30 (0.43) SCN9AUSP30TP53KRAS
SCHEMBL4408961 0.85 USP30 (0.43) SCN9AUSP30HDAC6SMARCA2SMARCA4
SCHEMBL4410012 0.84 USP30 (0.42) SCN9AUSP30TP53BACE1
SCHEMBL4411273 0.83 USP30 (0.44) SCN9AUSP30GPR119TP53

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-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A SCN9A 1411/4885USP30 4369/4885HDAC6 745/4885

“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.