SCHEMBL3596462

SCHEMBL3596462

CCCCC1=NC(NC(=O)C2(NC(=O)CCC(C)C)CCCC2)C(=O)N(Cc2ccccn2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.37
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
BDKRB1 P46663 5/20 0.36
CCKAR P32238 1/20 0.33
OXTR P30559 1/20 0.33

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
SCHEMBL6946820 0.81 NOTCH1 (0.33) CCKAR
SCHEMBL3594079 0.78 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3582955 0.78 BDKRB1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4186888 0.74 XIAP (0.41) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL13502691 0.72 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3589772 0.71 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3581234 0.71 CCKBR (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13675304 0.70 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6954236 0.70 CCKAR (0.38) BDKRB1CCKAR
SCHEMBL13502692 0.70 PSEN1 (0.50) XIAPPSEN1PSEN2APH1BNCSTN

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 US claimed
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-06 US claimed
US-7276496-B2 Cyclic malonamides as inhibitors of Aβ protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US claimed
US-20060135762-A1 Cyclic malonamides as inhibitors of Abeta protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-06-22 US claimed
US-7053081-B2 Cyclic malonamides as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US claimed
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production OLSON RICHARD E (US) 2005-01-13 US claimed
US-6759404-B2 INHIBITING GAMMA-SECRETASE ACTIVITY; TREATING DISEASES ASSOCIATED WITH BETA-AMYLOID PRODUCTION, SUCH AS ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US claimed
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US claimed
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMAPNY (US) 2010-02-18 US disclosed
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMAPNY (US) 2010-02-18 US disclosed
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMAPNY (US) 2010-02-18 US disclosed
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 US disclosed
US-7276496-B2 Cyclic malonamides as inhibitors of Aβ protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-20060135762-A1 Cyclic malonamides as inhibitors of Abeta protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-06-22 US disclosed
US-7053081-B2 Cyclic malonamides as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US disclosed
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production OLSON RICHARD E (US) 2005-01-13 US disclosed
US-6759404-B2 INHIBITING GAMMA-SECRETASE ACTIVITY; TREATING DISEASES ASSOCIATED WITH BETA-AMYLOID PRODUCTION, SUCH AS ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 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 (7 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-20060135762-A1 Cyclic malonamides as inhibitors of Abeta protein protection APP, BACE1, APBA1 XIAP 1469/4885PSEN1 6/4885PSEN2 9/4885
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production APP, BACE1, APH1A XIAP 2430/4885PSEN1 6/4885PSEN2 8/4885
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 XIAP 2278/4885PSEN1 6/4885PSEN2 9/4885
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION APP, BACE1, APBA1 XIAP 2278/4885PSEN1 6/4885PSEN2 9/4885
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A XIAP 1957/4885PSEN1 6/4885PSEN2 8/4885
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION APP, BACE1, APH1A XIAP 3168/4885PSEN1 6/4885PSEN2 8/4885
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production APP, APBA1, APH1A XIAP 2383/4885PSEN1 6/4885PSEN2 8/4885

“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.