SCHEMBL2886944

SCHEMBL2886944

CC(C)COc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 1/20 0.37
GRM5 P41594 1/20 0.37
BRS3 P32247 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
C5AR1 P21730 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2887295 0.89 ESR2 (0.44) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2890933 0.87 ESR2 (0.42) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2889334 0.86 ESR2 (0.44) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2889302 0.86 ESR2 (0.42) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2887306 0.85 ESR2 (0.41) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2902492 0.85 ESR2 (0.41) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2891087 0.85 ESR2 (0.41) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2888850 0.85 ESR2 (0.41) ESR2NR1H2MAPK1PIK3CAMTOR
SCHEMBL2883650 0.84 ESR2 (0.42) ACACBESR2NR1H2MAPK1MAPT
SCHEMBL2888817 0.84 ESR2 (0.42) ACACBESR2NR1H2MAPK1MAPT

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 ACACB 4546/4885ESR2 864/4885NR1H2 767/4885

“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.