SCHEMBL4559401

SCHEMBL4559401

C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(c2cccc(C(=O)c3ccccc3)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.51
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
NOTCH1 P46531 2/20 0.44
RBPJ Q06330 2/20 0.44
MMP1 P03956 3/20 0.42
MMP2 P08253 2/20 0.42
MMP7 P09237 2/20 0.42
MMP10 P09238 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
MMP3 P08254 2/20 0.38

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
SCHEMBL4559068 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4557718 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4559113 0.90 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4559378 0.90 APP (0.63) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4559317 0.88 APP (0.57) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13934580 0.86 APP (0.65) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13920941 0.86 APP (0.65) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4559364 0.81 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4559866 0.81 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4557783 0.80 APP (0.51) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102752-B1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP claimed
US-6794381-B1 BETA -PEPTIDE INHIBITOR PREVENTS NEUROLOGICAL DEPOSITS OF AMYLOID PRECURSOR PROTEIN; ALZHEIMER'S DISEASE AND DOWN'S SYNDROME TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2004-09-21 US claimed
US-20030134841-A1 Succinoylamino lactams as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-07-17 US claimed
US-7507815-B2 Succinoylamino lactams as inhibitors of a-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-24 US disclosed
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-27 US disclosed
US-7304055-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-7153491-B2 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-12-26 US disclosed
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-16 US disclosed
US-7101870-B2 Succinoylamino lactams as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-05 US disclosed
US-6962913-B2 Benzo-1,4-diazepin-2-ones as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-08 US disclosed
EP-1589342-A2 Use of radioligands to screen inhibitors of amyloid-beta peptide production Bristol-Myers Squibb Pharma Company (US) 2005-10-26 EP disclosed
EP-1102752-B1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
EP-1129355-B1 USE OF RADIOLIGANDS TO SCREEN INHIBITORS OF AMYLOID-BETA PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-07-20 EP disclosed
US-6878363-B2 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-04-12 US disclosed
US-20050019255-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging ZACZEK ROBERT (US) 2005-01-27 US disclosed
US-6794381-B1 BETA -PEPTIDE INHIBITOR PREVENTS NEUROLOGICAL DEPOSITS OF AMYLOID PRECURSOR PROTEIN; ALZHEIMER'S DISEASE AND DOWN'S SYNDROME TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2004-09-21 US disclosed
US-6737038-B1 CONTACTING POTENTIAL INHIBITOR AND TAGGED INHIBITOR OF BETA-AMYLOID PRODUCTION WITH MACROMOLECULE CONTAINING BINDING SITE SPECIFIC FOR TAGGED INHIBITOR, SEPARATING BOUND INHIBITOR, DETERMINING INHIBITORY CONCENTRATION BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US disclosed
US-20030134841-A1 Succinoylamino lactams as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-07-17 US disclosed
US-20020159947-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging LANTHEUS MEDICAL IMAGING, INC. 2002-10-31 US disclosed
US-6331408-B1 CONTACTING A POTENTIAL INHIBITOR OF BETA-AMYLOID PRODUCTION AND TAGGED INHIBITOR OF BETA-AMYLOID PRODUCTION WITH AT MACROMOLECULE INVOLVED IN PROCESSING OF AMYLOID PRECURSOR PROTEIN; SEPARATING TAGGED INHIBITOR, DETERMINING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 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 (5 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-20020159947-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging APP, BACE1, BACE2 APP 1/4885PSEN1 5/4885PSEN2 6/4885
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BACE1, APH1A, APP APP 3/4885PSEN1 7/4885PSEN2 9/4885
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP APP 3/4885PSEN1 7/4885PSEN2 9/4885
US-20050019255-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging APP, BACE1, BACE2 APP 1/4885PSEN1 4/4885PSEN2 6/4885
US-20030134841-A1 Succinoylamino lactams as inhibitors of A-beta protein production APH1A, BACE1, APP APP 3/4885PSEN1 7/4885PSEN2 11/4885

“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.