SCHEMBL547466

SCHEMBL547466

CC(O)(c1ccccc1)c1cc(Cl)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
GFER P55789 1/20 0.40
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
CASR P41180 3/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 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
SCHEMBL547313 1.00 PGR (0.49) PGRKMT2AMEN1SMN1; SMN2GFER
SCHEMBL4961089 1.00 PGR (0.49) PGRKMT2AMEN1SMN1; SMN2GFER
SCHEMBL10712658 0.83 CYP19A1 (0.45) PGRKMT2ASMN1; SMN2GFERCYP3A4
SCHEMBL3253398 0.82 PGR (0.48) PGRKMT2AMEN1SMN1; SMN2GFER
SCHEMBL11370625 0.81 HSP90AA1 (0.50) KMT2AMEN1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10083640 0.81 MEN1 (0.47) PGRKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL30606438 0.80 KMT2A (0.46) KMT2AMEN1CYP3A4ALDH1A1ALOX15
SCHEMBL3984867 0.80 MAPT (0.42) PGRKMT2ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL11622213 0.80 PGR (0.42) PGRKMT2AMEN1SMN1; SMN2GFER
SCHEMBL18095020 0.80 PGR (0.42) PGRKMT2AMEN1SMN1; SMN2CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12433896-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof GABA THERAPEUTICS INC. (US) 2025-10-07 US disclosed
US-20230263805-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF GABA THERAPEUTICS INC (US) 2023-08-24 US disclosed
US-11672805-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof GABA THERAPEUTICS INC. (US) 2023-06-13 US disclosed
US-20200405726-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF GABA THERAPEUTICS INC. 2020-12-31 US disclosed
US-10736901-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof GABA THERAPEUTICS INC. (US) 2020-08-11 US disclosed
US-20190015419-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF GABA THERAPEUTICS INC. 2019-01-17 US disclosed
US-10080755-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof ANVYL, LLC (US) 2018-09-25 US disclosed
EP-3347006-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEROF Anvyl, LLC (US) 2018-07-18 EP disclosed
US-20180064717-A1 DEUTERATED ANALONGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF GABA THERAPEUTICS INC. 2018-03-08 US disclosed
CN-107530323-A The deuterated analogue of Etifoxine, its derivative and their purposes 安维尔有限责任公司 2018-01-02 CN disclosed
US-20080038331-A1 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use ANVYL LLC 2008-02-14 US disclosed
US-20080038331-A1 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use ANVYL LLC 2008-02-14 US disclosed
US-20080038331-A1 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use ANVYL LLC 2008-02-14 US disclosed
US-20080039453-A1 Enantiomerically pure R-etifoxine, pharmaceutical compositions thereof and methods of their use OXFORD FINANCE CORPORATION 2008-02-14 US disclosed
US-20080039453-A1 Enantiomerically pure R-etifoxine, pharmaceutical compositions thereof and methods of their use OXFORD FINANCE CORPORATION 2008-02-14 US disclosed
WO-2007109288-A2 ENANTIOMERICALLY PURE R-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE XYTIS INC. (US) 2007-09-27 WO disclosed
WO-2007109289-A1 ENANTIOMERICALLY PURE S-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE XYTIS INC. (US) 2007-09-27 WO disclosed
EP-0142361-B1 N-SUBSTITUTED-5-PHENYL-4,1-BENZOXAZEPIN-2(3H)-ONES HAVING THERAPEUTIC UTILITY THE UPJOHN COMPANY (US) 1988-05-11 EP disclosed
US-4590187-A Phospholipase A2 inhibition using 4,1-benzoxazepine-2-(3H)-ones THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
EP-0142361-A2 N-substituted-5-phenyl-4,1-benzoxazepin-2(3H)-ones having therapeutic utility THE UPJOHN COMPANY (US) 1985-05-22 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 (10 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-20180064717-A1 DEUTERATED ANALONGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF CYP2D6, CYP2S1, CYP3A43 PGR 2128/4885KMT2A 2609/4885MEN1 1203/4885
US-12433896-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885
US-10080755-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885
US-20200405726-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885
US-11672805-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885
US-20190015419-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885
US-20080038331-A1 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use PYGB, CYP2C9, CYP3A5 PGR 1587/4885KMT2A 1976/4885MEN1 1960/4885
US-20080039453-A1 Enantiomerically pure R-etifoxine, pharmaceutical compositions thereof and methods of their use PYGB, GRIK5, CYP3A5 PGR 633/4885KMT2A 1795/4885MEN1 2275/4885
US-20230263805-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885
US-10736901-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof CYP2F1, CYP3A5, CYP4F3 PGR 1606/4885KMT2A 1911/4885MEN1 985/4885

“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.