SCHEMBL3582955

SCHEMBL3582955

CCCCN1C(=O)C(NC(=O)C2(NC(=O)CCC(C)C)CCCC2)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.47
OXTR P30559 1/20 0.44
CCKBR P32239 11/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL3581234 0.89 CCKBR (0.52) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL3594079 0.88 PSEN1 (0.40) BDKRB1CCKBRPSEN1PSEN2APH1B
SCHEMBL13502691 0.82 PSEN1 (0.51) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL3596462 0.78 XIAP (0.37) BDKRB1OXTRPSEN1PSEN2APH1B
SCHEMBL6952065 0.78 CCKBR (0.34) OXTRCCKBRPSEN1PSEN2APH1B
SCHEMBL3589772 0.76 PSEN1 (0.50) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL6949634 0.76 NOTCH1 (0.39) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL4184811 0.74 BDKRB1 (0.50) BDKRB1OXTRCCKBR
SCHEMBL4184809 0.74 BDKRB1 (0.50) BDKRB1OXTRCCKBR
SCHEMBL3581236 0.73 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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 37 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-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMPANY (US) 2010-01-14 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 BDKRB1 3118/4885OXTR 4023/4885CCKBR 2364/4885
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production APP, BACE1, APH1A BDKRB1 3476/4885OXTR 3800/4885CCKBR 2448/4885
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 BDKRB1 2916/4885OXTR 3863/4885CCKBR 2226/4885
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION APP, BACE1, APBA1 BDKRB1 2916/4885OXTR 3863/4885CCKBR 2226/4885
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A BDKRB1 3620/4885OXTR 3667/4885CCKBR 2646/4885
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION APP, BACE1, APH1A BDKRB1 3763/4885OXTR 4129/4885CCKBR 3978/4885
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production APP, APBA1, APH1A BDKRB1 3110/4885OXTR 3799/4885CCKBR 2458/4885

“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.