SCHEMBL4418322

SCHEMBL4418322

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)ccc2F)C(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
PARP1 P09874 3/20 0.42
KRAS P01116 1/20 0.40
TRPV3 Q8NET8 3/20 0.39
SETD7 Q8WTS6 1/20 0.39
KAT7 O95251 1/20 0.38
DPP4 P27487 1/20 0.38
BACE1 P56817 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4412062 0.92 USP30 (0.54) USP30PARP1KRASTRPV3SETD7
SCHEMBL4410437 0.90 GPR119 (0.44) USP30PARP1TRPV3SETD7KAT7
SCHEMBL4411290 0.89 USP30 (0.46) USP30PARP1TRPV3KAT7GPR119
SCHEMBL4409895 0.89 KAT7 (0.44) USP30PARP1TRPV3SETD7KAT7
SCHEMBL4410912 0.87 MCL1 (0.42) PARP1KAT7GPR119NR1H2NR1H3
SCHEMBL4417382 0.87 CPS1 (0.48) PARP1
SCHEMBL24558215 0.87 USP30 (0.41) USP30PARP1TRPV3SETD7KAT7
SCHEMBL29046811 0.85 USP30 (0.43) USP30TRPV3SETD7KAT7DPP4
SCHEMBL24558073 0.85 USP30 (0.43) USP30TRPV3SETD7KAT7DPP4
SCHEMBL4407351 0.85 GPR119 (0.43) PARP1KAT7GPR119

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 4369/4885PARP1 2847/4885KRAS 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.