SCHEMBL3276556

SCHEMBL3276556

CC(C)(C)OC(=O)N1CCOc2c(cccc2-c2ccco2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
GPR119 Q8TDV5 1/20 0.43
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 1/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
UCHL1 P09936 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TGFBR1 P36897 3/20 0.38
NAMPT P43490 2/20 0.38
PDK4 Q16654 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL3283796 0.86 UCHL1 (0.52) MAPK1GPR119ESR2NR1H2UCHL1
SCHEMBL3276526 0.85 MAPK1 (0.45) MAPK1GPR119ESR2NR1H2UCHL1
SCHEMBL3280283 0.84 MAPK1 (0.44) MAPK1GPR119ESR2NR1H2UCHL1
SCHEMBL3275335 0.83 MAPK1 (0.47) MAPK1GPR119ESR2NR1H2UCHL1
SCHEMBL3279644 0.83 MAPK1 (0.49) MAPK1GPR119ESR2NR1H2UCHL1
SCHEMBL3283887 0.82 MAPK1 (0.48) MAPK1ESR2NR1H2UCHL1USP2
SCHEMBL3277547 0.82 MAPK1 (0.48) MAPK1ESR2NR1H2UCHL1USP2
SCHEMBL3277303 0.82 MAPK1 (0.42) MAPK1ESR2NR1H2UCHL1USP2
SCHEMBL3276346 0.81 MAPK1 (0.43) MAPK1GPR119ESR2NR1H2UCHL1
SCHEMBL3282990 0.81 MAPK1 (0.43) MAPK1GPR119ESR2NR1H2UCHL1

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 3719/4885GPR119 96/4885ABCB1 930/4885

“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.