SCHEMBL2889110

SCHEMBL2889110

CC1CCCC(C)C1Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 7/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 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
SCHEMBL2883228 0.91 ESR2 (0.40) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2883230 0.91 ESR2 (0.40) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2883231 0.91 ESR2 (0.40) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2883177 0.89 ESR2 (0.40) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2890958 0.87 GPR119 (0.44) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2883158 0.82 GPR119 (0.42) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2883210 0.82 ESR2 (0.40) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2888850 0.81 ESR2 (0.41) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2888755 0.81 ESR2 (0.39) ESR2NR1H2GPR119MAPK1PIK3CA
SCHEMBL2896480 0.81 GPR119 (0.41) ESR2NR1H2GPR119MAPK1NAMPT

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 767/4885GPR119 568/4885

“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.