SCHEMBL3276378

SCHEMBL3276378

CC(C)(C)OC(=O)N1CCOc2c(cccc2-c2ccccc2C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
ACKR3 P25106 3/20 0.42
UCHL1 P09936 1/20 0.40
ESR2 Q92731 1/20 0.40
NAMPT P43490 4/20 0.39
NR1H2 P55055 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.38
PDK2 Q15119 1/20 0.38
ABHD6 Q9BV23 1/20 0.37
PDK4 Q16654 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL3277547 0.87 MAPK1 (0.48) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3279644 0.86 MAPK1 (0.49) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3283839 0.86 MAPK1 (0.45) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3283887 0.85 MAPK1 (0.48) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3283796 0.85 UCHL1 (0.52) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3276576 0.84 DRD2 (0.44) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3276666 0.84 MAPK1 (0.47) MAPK1UCHL1ESR2NAMPTNR1H2
SCHEMBL3281523 0.84 MAPK1 (0.47) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3279818 0.83 MAPK1 (0.47) MAPK1LIPGUCHL1ESR2NAMPT
SCHEMBL3275497 0.83 MAPK1 (0.42) MAPK1LIPGUCHL1ESR2NR1H2

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 MAPK1 3719/4885LIPG 3100/4885ACKR3 2425/4885

“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.