SCHEMBL3277249

SCHEMBL3277249

CC(C)(C)OC(=O)N1CCOc2c(Br)ccc(F)c2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 4/20 0.40
NR1H2 P55055 2/20 0.40
ESR2 Q92731 1/20 0.39
PIK3CD O00329 1/20 0.38
MAPK1 P28482 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 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
SCHEMBL25302932 0.88 USP30 (0.38) USP2SMN1; SMN2NR1H2ESR2MAPK1
SCHEMBL3276330 0.84 PIK3CD (0.44) USP2SMN1; SMN2RIPK1NR1H2ESR2
SCHEMBL3276780 0.83 GPR119 (0.43) USP2SMN1; SMN2RIPK1USP30MAPT
SCHEMBL3276664 0.83 USP2 (0.39) USP2SMN1; SMN2RIPK1NR1H2ESR2
SCHEMBL19358137 0.81 USP30 (0.42) USP2SMN1; SMN2NR1H2ESR2MAPK1
SCHEMBL31163315 0.81 ESR2 (0.47) NR1H2ESR2MAPK1MKNK1KDM4E
SCHEMBL15056844 0.81 ESR2 (0.47) NR1H2ESR2MAPK1MKNK1KDM4E
SCHEMBL20564823 0.81 RIPK1 (0.63) RIPK1
SCHEMBL3276194 0.80 GPR119 (0.42) USP2SMN1; SMN2RIPK1NR1H2ESR2
SCHEMBL2986290 0.79 MAPK1 (0.50) USP2SMN1; SMN2RIPK1NR1H2ESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B USP2 2256/4885SMN1; SMN2 2200/4885RIPK1 4189/4885

“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.