SCHEMBL4188936

SCHEMBL4188936

CCCOc1ccc(C(O)C(C)C(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.62
NOTCH1 P46531 4/20 0.57
PSEN1 P49768 3/20 0.57
PSEN2 P49810 3/20 0.57
APH1B Q8WW43 3/20 0.57
NCSTN Q92542 3/20 0.57
APH1A Q96BI3 3/20 0.57
PSENEN Q9NZ42 3/20 0.57
RBPJ Q06330 1/20 0.57
KCNH2 Q12809 1/20 0.56
SCN9A Q15858 3/20 0.56
NOTCH3 Q9UM47 3/20 0.54
GSAP A4D1B5 1/20 0.54

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
SCHEMBL4188933 1.00 CCKBR (0.62) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL4189611 0.88 CCKBR (0.77) CCKBRNOTCH1KCNH2SCN9ANOTCH3
SCHEMBL4189616 0.88 CCKBR (0.77) CCKBRNOTCH1KCNH2SCN9ANOTCH3
SCHEMBL4186932 0.82 CCKBR (0.73) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL4186928 0.82 CCKBR (0.73) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL6003673 0.81 CCKBR (0.67) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL6005180 0.81 CCKBR (0.67) CCKBRKCNH2
SCHEMBL27506967 0.81 PSEN1 (0.72) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL6304976 0.81 CCKBR (0.64) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL4989132 0.81 PSEN1 (0.72) CCKBRNOTCH1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US claimed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US claimed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US claimed
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production OLSON RICHARD E (US) 2005-05-26 US claimed
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-09-04 US claimed
US-6503902-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US claimed
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 US claimed
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 US disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US disclosed
US-7112583-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-26 US disclosed
US-6960576-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production OLSON RICHARD E (US) 2005-05-26 US disclosed
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-09-04 US disclosed
US-6503902-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A CCKBR 3571/4885NOTCH1 625/4885PSEN1 7/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A CCKBR 3888/4885NOTCH1 575/4885PSEN1 6/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B CCKBR 3521/4885NOTCH1 622/4885PSEN1 6/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 CCKBR 3886/4885NOTCH1 673/4885PSEN1 6/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A CCKBR 3888/4885NOTCH1 575/4885PSEN1 6/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A CCKBR 3888/4885NOTCH1 575/4885PSEN1 6/4885

“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.