SCHEMBL4412062

SCHEMBL4412062

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)cc2F)C(CO)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.54
CPS1 P31327 4/20 0.42
KRAS P01116 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
KAT7 O95251 1/20 0.38
DPP4 P27487 1/20 0.38
BACE1 P56817 1/20 0.37
TRPV3 Q8NET8 2/20 0.37
SCN9A Q15858 1/20 0.37
PARP1 P09874 2/20 0.37

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
SCHEMBL4418322 0.92 USP30 (0.47) USP30KRASSETD7KAT7DPP4
SCHEMBL4415927 0.89 KAT7 (0.44) USP30CPS1SETD7KAT7SCN9A
SCHEMBL4408769 0.88 USP30 (0.47) USP30CPS1KAT7PARP1
SCHEMBL12832455 0.88 NR1H2 (0.45) USP30CPS1SETD7KAT7DPP4
SCHEMBL24558073 0.88 USP30 (0.43) USP30SETD7KAT7DPP4TRPV3
SCHEMBL29046811 0.88 USP30 (0.43) USP30SETD7KAT7DPP4TRPV3
SCHEMBL24558215 0.87 USP30 (0.41) USP30CPS1SETD7KAT7DPP4
SCHEMBL4407351 0.85 GPR119 (0.43) KAT7PARP1
SCHEMBL1498908 0.85 GPR119 (0.49) USP30CPS1KAT7
SCHEMBL12780724 0.85 GPR119 (0.49) USP30CPS1KAT7

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 4369/4885CPS1 2888/4885KRAS 3418/4885

“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.