SCHEMBL14894232

SCHEMBL14894232

CC(C)(C)OC(=O)N1CC(=O)c2cccc(Br)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
UCHL1 P09936 1/20 0.42
PDK4 Q16654 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MAPK1 P28482 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
HDAC1 Q13547 1/20 0.38
ESR2 Q92731 1/20 0.37
USP30 Q70CQ3 1/20 0.36
BUB1 O43683 1/20 0.36
NR1H2 P55055 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 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
SCHEMBL15704286 0.85 DDB1 (0.44) DDB1CRBNPDK4PARP1TNKS2
SCHEMBL29421757 0.82 ABHD6 (0.62) ABHD6DDB1CRBNUCHL1MAPK1
SCHEMBL3578620 0.82 ABHD6 (0.62) ABHD6DDB1CRBNUCHL1MAPK1
SCHEMBL24001751 0.80 UCHL1 (0.45) ABHD6DDB1CRBNUCHL1PDK4
SCHEMBL28241333 0.80 ABHD6 (0.50) ABHD6DDB1CRBNUCHL1PDK4
SCHEMBL29782439 0.79 MAPK1 (0.47) ABHD6DDB1CRBNUCHL1PDK4
SCHEMBL17699719 0.79 MAPK1 (0.47) ABHD6DDB1CRBNUCHL1PDK4
SCHEMBL14895883 0.79 PIM1 (0.40) ABHD6KDM4E
SCHEMBL31184875 0.78 FPR2 (0.44) DDB1CRBNUCHL1PDK4PARP1
SCHEMBL29813840 0.78 MAPK1 (0.54) DDB1CRBNUCHL1PDK4MAPK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770995-B1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-02 EP disclosed
EP-2770995-B1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-02 EP disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9273040-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-03-01 US disclosed
US-9273040-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-03-01 US disclosed
US-9273040-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-03-01 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
EP-2911668-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2015-09-02 EP disclosed
US-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
US-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
US-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
EP-2770995-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
WO-2014066490-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2014-05-01 WO disclosed
WO-2013063459-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2013063459-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO 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 (2 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-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, CACNA1E, SCN1A ABHD6 4234/4885DDB1 3792/4885CRBN 3299/4885
US-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, SCN1A, CACNA1E ABHD6 4213/4885DDB1 3911/4885CRBN 3082/4885

“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.