SCHEMBL3279747

SCHEMBL3279747

C=Cc1cccc2c1OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ESR2 Q92731 1/20 0.44
NR1H2 P55055 2/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 4/20 0.40
LIPG Q9Y5X9 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
SCN9A Q15858 1/20 0.38
UCHL1 P09936 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
RIPK1 Q13546 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
SCHEMBL3280817 0.87 MAPK1 (0.47) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3276547 0.87 MAPK1 (0.47) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3283899 0.87 MAPK1 (0.47) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3276542 0.87 MAPK1 (0.47) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL2990806 0.84 MAPK1 (0.51) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL2986290 0.83 MAPK1 (0.50) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3279873 0.83 MAPK1 (0.43) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3279877 0.83 MAPK1 (0.43) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3275386 0.83 MAPK1 (0.47) MAPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3276242 0.82 MAPK1 (0.49) MAPK1ESR2NR1H2USP2SMN1; SMN2

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 1102/4885NR1H2 1395/4885

“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.