SCHEMBL4410161

SCHEMBL4410161

CC(C)(C)OC(=O)N1CCN2C(=O)c3cccc(Br)c3OCC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
KRAS P01116 2/20 0.39
TP53 P04637 1/20 0.39
FPR2 P25090 2/20 0.38
SCN9A Q15858 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
BRD4 O60885 2/20 0.36
PDK4 Q16654 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
SETD7 Q8WTS6 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 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
SCHEMBL4414949 0.89 HTR2A (0.43) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL4406532 0.88 KRAS (0.44) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL24558466 0.87 TP53 (0.42) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL29693171 0.87 TP53 (0.42) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL29693180 0.86 KRAS (0.45) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL24069695 0.86 KRAS (0.45) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL24558201 0.86 KRAS (0.45) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL24558269 0.86 KRAS (0.40) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL23512791 0.86 KRAS (0.45) USP30SMARCA2SMARCA4PBRM1KRAS
SCHEMBL4408961 0.84 USP30 (0.43) USP30SMARCA2SMARCA4PBRM1TP53

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 USP30 4369/4885SMARCA2 3907/4885SMARCA4 4157/4885

“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.