SCHEMBL3276194

SCHEMBL3276194

CC(C)(C)OC(=O)N1CCOc2c(-c3ccoc3)ccc(F)c2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.42
PIK3CD O00329 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 3/20 0.35
ESR2 Q92731 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
NR1H2 P55055 2/20 0.34
MAPK1 P28482 1/20 0.34
MTOR P42345 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
SCHEMBL3280283 0.82 MAPK1 (0.44) GPR119USP2SMN1; SMN2RIPK1ESR2
SCHEMBL3277249 0.80 USP2 (0.42) PIK3CDUSP2SMN1; SMN2RIPK1ESR2
SCHEMBL3276664 0.79 USP2 (0.39) GPR119PIK3CDUSP2SMN1; SMN2RIPK1
SCHEMBL9902373 0.79 GPR119 (0.43) GPR119PIK3CDUSP2SMN1; SMN2RIPK1
SCHEMBL3276330 0.78 PIK3CD (0.44) GPR119PIK3CDUSP2SMN1; SMN2RIPK1
SCHEMBL3276780 0.77 GPR119 (0.43) GPR119USP2SMN1; SMN2RIPK1
SCHEMBL3276191 0.73 RIPK1 (0.33) RIPK1
SCHEMBL3277547 0.69 MAPK1 (0.48) USP2SMN1; SMN2RIPK1ESR2NR1H2
SCHEMBL38652794 0.69 MKNK1 (0.42) ESR2PTGDR2NR1H2
SCHEMBL3283691 0.69 MAPK1 (0.43) GPR119RIPK1ESR2NR1H2MAPK1

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-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B GPR119 96/4885PIK3CD 2940/4885USP2 2256/4885

“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.