SCHEMBL2883210

SCHEMBL2883210

CC(Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
GRAMD1A Q96CP6 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP30 Q70CQ3 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
NAMPT P43490 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HDAC4 P56524 2/20 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
SCHEMBL2888755 0.99 ESR2 (0.39) ESR2NR1H2MAPK1NPC1RAB9A
SCHEMBL2889334 0.90 ESR2 (0.44) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2883639 0.86 ESR2 (0.42) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2889076 0.86 ESR2 (0.42) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2883650 0.86 ESR2 (0.42) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2888817 0.86 ESR2 (0.42) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2891087 0.84 ESR2 (0.41) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2887306 0.84 ESR2 (0.41) ESR2NR1H2MAPK1MAPTALDH1A1
SCHEMBL2890958 0.84 GPR119 (0.44) ESR2NR1H2MAPK1PIK3CAMTOR
SCHEMBL2902492 0.84 ESR2 (0.41) ESR2NR1H2MAPK1MAPTALDH1A1

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.