SCHEMBL3486223

SCHEMBL3486223

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)NC1N=C(c2ccccn2)c2ccccc2N(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 7/20 0.51
CCKBR P32239 4/20 0.51
RBPJ Q06330 2/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
NOTCH3 Q9UM47 5/20 0.48
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46

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
SCHEMBL3486229 1.00 NOTCH1 (0.51) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4184646 0.92 NOTCH1 (0.49) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4981952 0.92 NOTCH1 (0.49) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4184644 0.92 NOTCH1 (0.49) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL13434957 0.90 NOTCH1 (0.49) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4186959 0.90 CCKBR (0.52) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4998893 0.90 SCN9A (0.51) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4995777 0.90 CCKBR (0.52) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4185198 0.90 SCN9A (0.51) NOTCH1CCKBRRBPJPSEN1PSEN2
SCHEMBL4186956 0.90 CCKBR (0.52) NOTCH1CCKBRRBPJPSEN1PSEN2

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 35 patents — showing the first 20. 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-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-18 US disclosed
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-04 US disclosed
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-07-02 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-20040138201-A1 Substituted lactams as inhibitors of Abeta protein production HAN QI (US) 2004-07-15 US disclosed
US-6632812-B2 Alzheimer's disease; Down syndrom DUPONT PHARMACEUTICALS COMPANY 2003-10-14 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
US-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 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 (12 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-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BACE1, APP, APH1A NOTCH1 281/4885CCKBR 3093/4885RBPJ 2526/4885
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A NOTCH1 625/4885CCKBR 3571/4885RBPJ 2984/4885
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A NOTCH1 125/4885CCKBR 2802/4885RBPJ 1928/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A NOTCH1 125/4885CCKBR 2802/4885RBPJ 1928/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A NOTCH1 575/4885CCKBR 3888/4885RBPJ 2821/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A NOTCH1 98/4885CCKBR 2765/4885RBPJ 1845/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B NOTCH1 622/4885CCKBR 3521/4885RBPJ 2748/4885
US-20040138201-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A NOTCH1 158/4885CCKBR 2797/4885RBPJ 2163/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 NOTCH1 673/4885CCKBR 3886/4885RBPJ 2934/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A NOTCH1 575/4885CCKBR 3888/4885RBPJ 2821/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 NOTCH1 167/4885CCKBR 3027/4885RBPJ 2285/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A NOTCH1 125/4885CCKBR 2802/4885RBPJ 1928/4885

“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.