SCHEMBL2887306

SCHEMBL2887306

CC[C@@H](C)Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
NR1H2 P55055 2/20 0.40
MAPK1 P28482 1/20 0.38
MTOR P42345 2/20 0.37
PIK3CA P42336 1/20 0.37
ACACB O00763 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 3/20 0.35
MAPT P10636 3/20 0.35
GRAMD1A Q96CP6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.34
PIK3CD O00329 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL2891087 1.00 ESR2 (0.41) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2902492 1.00 ESR2 (0.41) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2883178 0.90 ESR2 (0.40) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2889334 0.90 ESR2 (0.44) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2889076 0.88 ESR2 (0.42) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2888817 0.88 ESR2 (0.42) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2883639 0.88 ESR2 (0.42) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2883650 0.88 ESR2 (0.42) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2887295 0.85 ESR2 (0.44) ESR2NR1H2MAPK1MTORPIK3CA
SCHEMBL2886944 0.85 ACACB (0.42) ESR2NR1H2MAPK1MTORPIK3CA

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 767/4885MAPK1 489/4885

“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.