SCHEMBL4411026

SCHEMBL4411026

CC(C)(C)OC(=O)N1CCN2Cc3cc(Br)ccc3OCC2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.40
FPR2 P25090 2/20 0.39
ESR2 Q92731 1/20 0.37
SCD5 Q86SK9 1/20 0.37
NR1H2 P55055 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NAMPT P43490 1/20 0.36
RORC P51449 2/20 0.36
BACE1 P56817 2/20 0.36
KRAS P01116 3/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SETD7 Q8WTS6 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
SCHEMBL4418602 0.88 RIPK1 (0.46) USP30ESR2KRASFNTAFNTB
SCHEMBL4409890 0.87 MTNR1A (0.44) HRH3
SCHEMBL4407499 0.86 MAPT (0.41) ESR2SCD5NR1H2RORCKRAS
SCHEMBL4406512 0.85 USP30 (0.49) USP30
SCHEMBL4407107 0.85 MAPK1 (0.44) USP30ESR2NAMPTKRAS
SCHEMBL23512794 0.84 KRAS (0.39) USP30ESR2KRAS
SCHEMBL29693098 0.84 KRAS (0.39) USP30ESR2KRAS
SCHEMBL24558105 0.84 KRAS (0.40) USP30ESR2KRAS
SCHEMBL29693203 0.84 KRAS (0.40) USP30ESR2KRAS
SCHEMBL4410030 0.84 LMNA (0.39) USP30ESR2SCD5NR1H2HRH3

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 4369/4885FPR2 501/4885ESR2 1292/4885

“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.