SCHEMBL31370682

SCHEMBL31370682

CC(C)(C)OC(=O)n1ccc2ccc(CCN)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.42
OXER1 Q8TDS5 1/20 0.42
NR1H3 Q13133 3/20 0.39
PIK3CD O00329 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
KDR P35968 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
EPHB4 P54760 2/20 0.38
PRKDC P78527 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTR6 P50406 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL31370744 0.90 NR1H2 (0.45) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL31370781 0.90 NR1H2 (0.49) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL1053719 0.88 NR1H2 (0.43) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL30811811 0.85 NR1H2 (0.40) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL1760804 0.85 NR1H2 (0.40) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL18992998 0.84 HSP90AA1 (0.41) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL2003464 0.82 NR1H2 (0.45) NR1H2PIK3CDABL1EGFRHCK
SCHEMBL29965339 0.81 NR1H2 (0.39) NR1H2OXER1NR1H3PIK3CDABL1
SCHEMBL1051369 0.79 SIGMAR1 (0.43) OXER1KDM4ECYP1A2
SCHEMBL15231776 0.79 NR1H2 (0.35) NR1H2OXER1NR1H3PIK3CDABL1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 NR1H2 3397/4885OXER1 4378/4885NR1H3 3193/4885

“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.