SCHEMBL3583294

SCHEMBL3583294

CC(C)CCNC(=O)C1(OC=O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CTSK P43235 4/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.36
ANPEP P15144 3/20 0.36
DNPEP Q9ULA0 2/20 0.36
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
LMNA P02545 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL3587681 0.72 SMN1; SMN2 (0.40) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL3583292 0.71 SMN1; SMN2 (0.41) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL19199227 0.70 SMN1; SMN2 (0.42) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL20806732 0.69 SMN1; SMN2 (0.42) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL15592337 0.67 SMN1; SMN2 (0.40) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL17874806 0.66 SMN1; SMN2 (0.41) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL16234619 0.66 CYP3A4 (0.42) SMN1; SMN2CTSKL3MBTL1LMNA
SCHEMBL13932840 0.65 DGAT1 (0.47) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL6834449 0.65 SMN1; SMN2 (0.39) SMN1; SMN2GAARAB9AMAPK1ANPEP
SCHEMBL383269 0.65 AKR1C1 (0.34)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 US disclosed
US-7528249-B2 Cyclic malonamides as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-05-05 US disclosed
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-06 US disclosed
US-7390896-B2 Cyclic malonamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-20080021014-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-24 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 (8 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 SMN1; SMN2 636/4885CTSK 1571/4885GAA 337/4885
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production APP, BACE1, APH1A SMN1; SMN2 795/4885CTSK 1411/4885GAA 118/4885
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 SMN1; SMN2 1078/4885CTSK 1618/4885GAA 277/4885
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION APP, BACE1, APBA1 SMN1; SMN2 1078/4885CTSK 1618/4885GAA 277/4885
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A SMN1; SMN2 973/4885CTSK 1292/4885GAA 135/4885
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION APP, BACE1, APH1A SMN1; SMN2 944/4885CTSK 1864/4885GAA 63/4885
US-20080021014-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 SMN1; SMN2 1078/4885CTSK 1618/4885GAA 277/4885
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production APP, APBA1, APH1A SMN1; SMN2 1186/4885CTSK 1979/4885GAA 141/4885

“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.