SCHEMBL7534534

SCHEMBL7534534

NC(C(=O)O)(c1cccc(Br)c1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GRK2 P25098 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TP53 P04637 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
SCHEMBL7540239 0.77 KMT2A (0.46) MEN1KMT2ACYP1A2CYP2C19KIF11
SCHEMBL1410564 0.75 KEAP1 (0.61) MEN1KMT2ACYP1A2CYP2C19KEAP1
SCHEMBL2451041 0.75 CYP1A2 (0.57) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL1411424 0.75 KEAP1 (0.61) MEN1KMT2ACYP1A2CYP2C19KEAP1
SCHEMBL2451043 0.75 CYP1A2 (0.57) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL12467196 0.74 KMT2A (0.42) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL14903792 0.74 KMT2A (0.42) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL25178797 0.74 KEAP1 (0.64) CYP1A2L3MBTL1GRK2CASP6CASP8
SCHEMBL30891981 0.74 KEAP1 (0.64) CYP1A2L3MBTL1GRK2CASP6CASP8
SCHEMBL2171798 0.73 CYP1A2 (0.59) MEN1KMT2ACYP1A2CYP2C19CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
EP-2097387-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-04 EP disclosed
EP-2788335-B1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES FOR THE TREATMENT OF DISORDERS IN WHICH BETA-SECRETASE IS INVOLVED JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 EP disclosed
US-20140364428-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (US) 2014-12-11 US disclosed
US-20140364428-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (US) 2014-12-11 US disclosed
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-7763609-B2 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
EP-1838304-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORP (US) 2009-08-19 EP disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 WO disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 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 (4 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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 MEN1 1319/4885KMT2A 1578/4885CYP1A2 2856/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 MEN1 4299/4885KMT2A 4715/4885CYP1A2 2869/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 MEN1 1192/4885KMT2A 4458/4885CYP1A2 2191/4885
US-20140364428-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES BACE2, PSEN2, BACE1 MEN1 1172/4885KMT2A 2000/4885CYP1A2 3422/4885

“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.