SCHEMBL2883158

SCHEMBL2883158

CC(C)(C)OC(=O)N1CCOc2nc(OC3CCC(F)(F)CC3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.42
IDH1 O75874 2/20 0.40
IDH2 P48735 1/20 0.40
ESR2 Q92731 1/20 0.39
NR1H2 P55055 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
KDM1A O60341 1/20 0.37
PIK3CA P42336 2/20 0.36
DGAT1 O75907 1/20 0.36
MAPK1 P28482 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MTOR P42345 1/20 0.35

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
SCHEMBL2890958 0.89 GPR119 (0.44) GPR119ESR2NR1H2PIK3CAMAPK1
SCHEMBL2889110 0.82 ESR2 (0.40) GPR119ESR2NR1H2DDB1CRBN
SCHEMBL2883228 0.81 ESR2 (0.40) GPR119ESR2NR1H2DDB1CRBN
SCHEMBL2883231 0.81 ESR2 (0.40) GPR119ESR2NR1H2DDB1CRBN
SCHEMBL2883177 0.81 ESR2 (0.40) GPR119ESR2NR1H2DDB1CRBN
SCHEMBL2883230 0.81 ESR2 (0.40) GPR119ESR2NR1H2DDB1CRBN
SCHEMBL2888850 0.81 ESR2 (0.41) GPR119ESR2NR1H2DDB1CRBN
SCHEMBL2887295 0.80 ESR2 (0.44) GPR119ESR2NR1H2PIK3CAMAPK1
SCHEMBL2889334 0.80 ESR2 (0.44) ESR2NR1H2PIK3CAMAPK1MTOR
SCHEMBL2886944 0.80 ACACB (0.42) GPR119ESR2NR1H2PIK3CAMAPK1

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-2213675-B1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-08-14 EP disclosed
US-8329687-B2 Pyridooxazepine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-2213675-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-04 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-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF HTR2C, HTR2A, TPH2 GPR119 568/4885IDH1 3266/4885IDH2 2108/4885

“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.