SCHEMBL3277014

SCHEMBL3277014

CC(C)(C)OC(=O)N1CCOc2c(cccc2N2CCC(F)(F)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ESR2 Q92731 1/20 0.38
CYP11B2 P19099 1/20 0.38
NAMPT P43490 3/20 0.38
NR1H2 P55055 1/20 0.38
RIPK1 Q13546 5/20 0.36
LIPG Q9Y5X9 1/20 0.36
PIK3CD O00329 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
AVPR1A P37288 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL3277386 0.85 MAPK1 (0.48) MAPK1ESR2NAMPTNR1H2LIPG
SCHEMBL3276254 0.84 MAPK1 (0.47) MAPK1ESR2NAMPTNR1H2LIPG
SCHEMBL3276778 0.84 SMN1; SMN2 (0.50) MAPK1ESR2NAMPTNR1H2USP2
SCHEMBL3276625 0.79 MAPK1 (0.46) MAPK1ESR2NAMPTNR1H2LIPG
SCHEMBL2990806 0.78 MAPK1 (0.51) MAPK1ESR2NAMPTNR1H2RIPK1
SCHEMBL3277377 0.77 MAPK1 (0.48) MAPK1ESR2NAMPTNR1H2RIPK1
SCHEMBL2986290 0.77 MAPK1 (0.50) MAPK1ESR2NAMPTNR1H2RIPK1
SCHEMBL3283917 0.76 ESR2 (0.44) MAPK1ESR2NAMPTNR1H2RIPK1
SCHEMBL3276242 0.76 MAPK1 (0.49) MAPK1ESR2NAMPTNR1H2LIPG
SCHEMBL3281304 0.76 MAPK1 (0.49) MAPK1ESR2NAMPTNR1H2RIPK1

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 3719/4885ESR2 1102/4885CYP11B2 137/4885

“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.