SCHEMBL3276330

SCHEMBL3276330

CC(C)c1ccc(F)c2c1OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
RIPK1 Q13546 3/20 0.38
ESR2 Q92731 1/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H2 P55055 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
C5AR1 P21730 1/20 0.36

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
SCHEMBL3277249 0.84 USP2 (0.42) PIK3CDUSP2SMN1; SMN2RIPK1ESR2
SCHEMBL3276780 0.81 GPR119 (0.43) USP2SMN1; SMN2GPR119RIPK1MAPT
SCHEMBL3276664 0.81 USP2 (0.39) PIK3CDUSP2SMN1; SMN2GPR119RIPK1
SCHEMBL3277377 0.80 MAPK1 (0.48) PIK3CDUSP2SMN1; SMN2RIPK1ESR2
SCHEMBL3276194 0.78 GPR119 (0.42) PIK3CDUSP2SMN1; SMN2GPR119RIPK1
SCHEMBL9902475 0.75 USP2 (0.42) PIK3CDUSP2SMN1; SMN2ESR2MAPK1
SCHEMBL15282705 0.73 PIK3CD (0.63) PIK3CDUSP2SMN1; SMN2RIPK1ESR2
SCHEMBL15282926 0.73 PIK3CD (0.63) PIK3CDUSP2SMN1; SMN2RIPK1ESR2
SCHEMBL25302932 0.72 USP30 (0.38) USP2SMN1; SMN2ESR2MAPK1MAPT
SCHEMBL3276463 0.72 MAPK1 (0.45) PIK3CDUSP2SMN1; SMN2RIPK1ESR2

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 PIK3CD 2940/4885CYP3A4 329/4885CYP3A5 113/4885

“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.