SCHEMBL2889302

SCHEMBL2889302

CCCCOc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
ACACB O00763 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
BRS3 P32247 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 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
SCHEMBL2890933 0.95 ESR2 (0.42) ESR2NR1H2MAPTMAPK1GPR119
SCHEMBL2887295 0.91 ESR2 (0.44) ESR2NR1H2MAPTMAPK1GPR119
SCHEMBL2896480 0.86 GPR119 (0.41) ESR2NR1H2MAPK1GPR119
SCHEMBL2886944 0.86 ACACB (0.42) ESR2NR1H2MAPTMAPK1GPR119
SCHEMBL2888850 0.85 ESR2 (0.41) ESR2NR1H2MAPK1GPR119PIK3CA
SCHEMBL2891543 0.84 GRM5 (0.56) ESR2NR1H2MAPK1GPR119GRM5
SCHEMBL2887306 0.83 ESR2 (0.41) ESR2NR1H2MAPTMAPK1PIK3CA
SCHEMBL2891087 0.83 ESR2 (0.41) ESR2NR1H2MAPTMAPK1PIK3CA
SCHEMBL2902492 0.83 ESR2 (0.41) ESR2NR1H2MAPTMAPK1PIK3CA
SCHEMBL17901925 0.82 MAPT (0.52) ESR2NR1H2MAPTMAPK1GPR119

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 ESR2 864/4885NR1H2 767/4885MAPT 4305/4885

“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.