SCHEMBL4196013

SCHEMBL4196013

CC(C)(C)OC(=O)NC1CCCCN(Cc2cccc(I)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.51
SRC P12931 5/20 0.46
APP P05067 9/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL13904759 1.00 NPY1R (0.51) NPY1RSRCAPPMMP1MMP2
SCHEMBL12527914 0.88 KMT2A (0.55) NPY1RSRCAPPMMP1MMP2
SCHEMBL12527916 0.87 KMT2A (0.54) NPY1RSRCAPPMMP1MMP2
SCHEMBL4193840 0.86 NPY1R (0.60) NPY1RAPPMMP1MMP2MMP7
SCHEMBL2331147 0.86 NPY1R (0.49) NPY1RSRCAPPMMP1MMP2
SCHEMBL8426497 0.83 NPY1R (0.51) NPY1RSRCAPPMMP1MMP2
SCHEMBL2327098 0.83 NPY1R (0.45) NPY1RSRCAPPMMP1MMP2
SCHEMBL12525774 0.82 KDM4E (0.47) NPY1RSRCAPPF2F10
SCHEMBL13904769 0.82 NPY1R (0.53) NPY1RSRCAPPMMP1MMP2
SCHEMBL13818354 0.82 SRC (0.61) SRCKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 US disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US disclosed
US-7112583-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-26 US disclosed
US-6960576-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production OLSON RICHARD E (US) 2005-05-26 US disclosed
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-09-04 US disclosed
US-6503902-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 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 (5 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A NPY1R 2702/4885SRC 3883/4885APP 1/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A NPY1R 2872/4885SRC 3727/4885APP 1/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B NPY1R 2295/4885SRC 4170/4885APP 1/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A NPY1R 2872/4885SRC 3727/4885APP 1/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A NPY1R 2872/4885SRC 3727/4885APP 1/4885

“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.