SCHEMBL244890

SCHEMBL244890

CC(C)(C)OC(=O)NC(C)(CO)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.45
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
RECQL P46063 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
AURKB Q96GD4 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL15124774 1.00 AAK1 (0.45) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL31292829 0.89 AAK1 (0.46) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL243147 0.87 AAK1 (0.43) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL2175047 0.85 AAK1 (0.42) AAK1CTSBCTSSCTSKSMN1; SMN2
SCHEMBL25399092 0.84 CTSL (0.42) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29949053 0.84 RXFP1 (0.48) SMN1; SMN2MEN1KMT2AAURKBALDH1A1
SCHEMBL29949477 0.84 CTSL (0.42) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10216897 0.84 RXFP1 (0.48) SMN1; SMN2MEN1KMT2AAURKBALDH1A1
SCHEMBL19265256 0.84 RXFP1 (0.48) SMN1; SMN2MEN1KMT2AAURKBALDH1A1
SCHEMBL882831 0.84 CTSB (0.33) AAK1CTSBCTSSCTSKSMN1; 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840507-B2 5,6-dihydro-imidazo[1,2-a]pyrazin-8-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, NV (BE) 2017-12-12 US disclosed
US-9840507-B2 5,6-dihydro-imidazo[1,2-a]pyrazin-8-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, NV (BE) 2017-12-12 US disclosed
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-2655376-B1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-08-23 EP disclosed
EP-2655376-B1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-08-23 EP 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
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-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
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-20060111370-A1 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-05-25 US 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 (6 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 AAK1 3750/4885CTSB 33/4885CTSS 7/4885
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 AAK1 1365/4885CTSB 218/4885CTSS 64/4885
US-20060111370-A1 Heterocyclic aspartyl protease inhibitors CHRM1, CHRM2, PRSS1 AAK1 3750/4885CTSB 33/4885CTSS 7/4885
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 AAK1 3750/4885CTSB 33/4885CTSS 7/4885
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 AAK1 3919/4885CTSB 12/4885CTSS 4/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 AAK1 3750/4885CTSB 33/4885CTSS 7/4885

“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.