SCHEMBL4179997

SCHEMBL4179997

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)NC1N=C(C)c2ccccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.41
NOTCH1 P46531 4/20 0.40
RBPJ Q06330 3/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
XIAP P98170 3/20 0.38
NOTCH3 Q9UM47 1/20 0.37
CCKBR P32239 2/20 0.37
KCNH2 Q12809 2/20 0.37
CCKAR P32238 1/20 0.37
REN P00797 1/20 0.36
GSK3B P49841 1/20 0.36
CYP3A4 P08684 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 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
SCHEMBL4180000 1.00 OXTR (0.41) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4191522 0.91 APP (0.42) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL4191526 0.91 APP (0.42) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL4175867 0.91 NOTCH1 (0.41) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4175871 0.91 BDKRB1 (0.42) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4179537 0.91 BDKRB1 (0.42) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4179536 0.91 BDKRB1 (0.42) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4184612 0.90 NOTCH1 (0.39) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4184617 0.90 NOTCH1 (0.39) OXTRNOTCH1RBPJPSEN1PSEN2
SCHEMBL4187317 0.88 OXTR (0.46) OXTRNOTCH1RBPJCCKBR

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 17 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-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 OXTR 3755/4885NOTCH1 625/4885RBPJ 2984/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A OXTR 3597/4885NOTCH1 575/4885RBPJ 2821/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B OXTR 3464/4885NOTCH1 622/4885RBPJ 2748/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 OXTR 3621/4885NOTCH1 673/4885RBPJ 2934/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A OXTR 3597/4885NOTCH1 575/4885RBPJ 2821/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A OXTR 3597/4885NOTCH1 575/4885RBPJ 2821/4885

“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.