SCHEMBL3277529

SCHEMBL3277529

CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N2CCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
NAMPT P43490 3/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL3277687 0.93 USP2 (0.49) MAPK1POLBMEN1KMT2AESR2
SCHEMBL3276242 0.87 MAPK1 (0.49) MAPK1POLBESR2NR1H2USP2
SCHEMBL3275386 0.85 MAPK1 (0.47) MAPK1POLBESR2NR1H2USP2
SCHEMBL3277386 0.84 MAPK1 (0.48) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3276254 0.83 MAPK1 (0.47) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL2984790 0.83 MAPK1 (0.47) MAPK1POLBESR2NR1H2USP2
SCHEMBL10455711 0.83 MAPK1 (0.45) MAPK1POLBESR2NR1H2USP2
SCHEMBL10458132 0.83 MAPK1 (0.45) MAPK1POLBESR2NR1H2USP2
SCHEMBL3277068 0.83 MAPK1 (0.45) MAPK1POLBESR2NR1H2USP2
SCHEMBL2990806 0.82 MAPK1 (0.51) MAPK1ESR2NR1H2USP2SMN1; SMN2

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 MAPK1 3719/4885POLB 3412/4885MEN1 3913/4885

“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.