SCHEMBL3486777

SCHEMBL3486777

CCCC(C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.77
NOTCH1 P46531 4/20 0.73
PSEN1 P49768 3/20 0.73
PSEN2 P49810 3/20 0.73
APH1B Q8WW43 3/20 0.73
NCSTN Q92542 3/20 0.73
APH1A Q96BI3 3/20 0.73
PSENEN Q9NZ42 3/20 0.73
RBPJ Q06330 1/20 0.73
KCNH2 Q12809 1/20 0.68
NOTCH3 Q9UM47 3/20 0.68
SCN9A Q15858 1/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62

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
SCHEMBL13434949 1.00 CCKBR (0.77) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL6308363 0.93 CCKBR (0.70) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL3486228 0.92 CCKBR (0.71) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL13434951 0.91 CCKBR (0.75) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL3486798 0.91 CCKBR (0.75) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL4186932 0.89 CCKBR (0.73) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL4186928 0.89 CCKBR (0.73) CCKBRNOTCH1PSEN1PSEN2APH1B
SCHEMBL9868120 0.87 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9868116 0.87 CCKBR (1.00) CCKBRKCNH2
SCHEMBL13325861 0.87 CCKBR (0.76) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498324-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-03 US claimed
US-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-11 US claimed
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-26 US claimed
US-20050234039-A1 Prevent forming deposits of amyloid protein on nervous systems; Alzheimer's disease; Down syndrome HAN QI 2005-10-20 US claimed
US-20040138201-A1 Substituted lactams as inhibitors of Abeta protein production HAN QI (US) 2004-07-15 US claimed
US-6632812-B2 Alzheimer's disease; Down syndrom DUPONT PHARMACEUTICALS COMPANY 2003-10-14 US claimed
US-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 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-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-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-26 US disclosed
US-20060211679-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-21 US disclosed
US-20050234039-A1 Prevent forming deposits of amyloid protein on nervous systems; Alzheimer's disease; Down syndrome HAN QI 2005-10-20 US disclosed
US-6900199-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-31 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-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 (9 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-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BACE1, APP, APH1A CCKBR 2802/4885NOTCH1 125/4885PSEN1 6/4885
US-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BACE1, APP, APH1A CCKBR 3093/4885NOTCH1 281/4885PSEN1 6/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A CCKBR 2802/4885NOTCH1 125/4885PSEN1 6/4885
US-20040138201-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A CCKBR 2797/4885NOTCH1 158/4885PSEN1 6/4885
US-20060211679-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A CCKBR 2802/4885NOTCH1 125/4885PSEN1 6/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A CCKBR 2802/4885NOTCH1 125/4885PSEN1 6/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 CCKBR 3027/4885NOTCH1 167/4885PSEN1 5/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A CCKBR 2802/4885NOTCH1 125/4885PSEN1 6/4885
US-20050234039-A1 Prevent forming deposits of amyloid protein on nervous systems; Alzheimer's disease; Down syndrome APP, BACE1, PSEN1 CCKBR 3583/4885NOTCH1 147/4885PSEN1 3/4885

“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.