SCHEMBL3595087

SCHEMBL3595087

CN1C(=O)[C@@H](NC(=O)C2(NC(=O)CCC3CCCC3)CCCCC2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.78
PSEN1 P49768 8/20 0.69
PSEN2 P49810 8/20 0.69
APH1B Q8WW43 8/20 0.69
NCSTN Q92542 8/20 0.69
APH1A Q96BI3 8/20 0.69
PSENEN Q9NZ42 8/20 0.69
CCKBR P32239 3/20 0.60
CCKAR P32238 1/20 0.60
HDAC3 O15379 5/20 0.55
HDAC4 P56524 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC7 Q8WUI4 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC10 Q969S8 5/20 0.55
HDAC11 Q96DB2 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC9 Q9UKV0 5/20 0.55
HDAC5 Q9UQL6 5/20 0.55

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
SCHEMBL13865657 1.00 KCNH2 (0.78) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13502683 0.97 KCNH2 (0.72) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13675154 0.92 KCNH2 (0.66) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL5370070 0.92 PSEN1 (0.70) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3588136 0.92 PSEN1 (0.70) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3587719 0.89 PSEN1 (0.67) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7090700 0.88 KCNH2 (1.00) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7087129 0.88 KCNH2 (1.00) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3588536 0.86 PSEN1 (0.63) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL8608852 0.83 KCNH2 (0.89) KCNH2PSEN1PSEN2APH1BNCSTN

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-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 KCNH2 2335/4885PSEN1 6/4885PSEN2 9/4885
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production APP, BACE1, APH1A KCNH2 2576/4885PSEN1 6/4885PSEN2 8/4885
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 KCNH2 2256/4885PSEN1 6/4885PSEN2 9/4885
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION APP, BACE1, APBA1 KCNH2 2256/4885PSEN1 6/4885PSEN2 9/4885
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A KCNH2 2308/4885PSEN1 6/4885PSEN2 8/4885
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION APP, BACE1, APH1A KCNH2 3509/4885PSEN1 6/4885PSEN2 8/4885
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production APP, APBA1, APH1A KCNH2 2169/4885PSEN1 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.