SCHEMBL4148160

SCHEMBL4148160

CC1=NC(NC(=O)OCc2ccccc2)C(=O)N(C)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
SENP1 Q9P0U3 1/20 0.47
BRD4 O60885 7/20 0.46
BRD2 P25440 7/20 0.46
BRD3 Q15059 7/20 0.46
CCKBR P32239 9/20 0.43
CCKAR P32238 3/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 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
SCHEMBL13904864 1.00 SCN9A (0.49) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256442 0.88 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256449 0.88 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL9256454 0.88 SCN9A (0.61) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL4413353 0.80 CCKBR (0.60) SCN9ACCKBRCCKAR
SCHEMBL4697564 0.80 SCN9A (0.69) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL4156693 0.80 BRD4 (0.43) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL13904861 0.80 BRD4 (0.43) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL7544783 0.79 SCN9A (0.51) SCN9ASENP1BRD4BRD2BRD3
SCHEMBL7544771 0.79 SCN9A (0.51) SCN9ASENP1BRD4BRD2BRD3

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 20 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-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-05 US disclosed
US-7456278-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-11-25 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-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
US-7354914-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-04-08 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-20050261274-A1 Lactams substituted by cyclic succinates as inhibitors of Abeta protein production OLSON RICHARD E 2005-11-24 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-6958329-B2 Lactams substituted by cyclic succinates as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 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-20030119815-A1 Lactams substituted by cyclic succinates as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-06-26 US disclosed
US-6509333-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-21 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
US-20020137737-A1 Lactams substituted by cyclic succinates as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-26 US disclosed
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 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 (11 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 SCN9A 44/4885SENP1 567/4885BRD4 4052/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A SCN9A 84/4885SENP1 405/4885BRD4 3720/4885
US-20020137737-A1 Lactams substituted by cyclic succinates as inhibitors of a beta protein production APP, BACE1, APH1A SCN9A 190/4885SENP1 26/4885BRD4 4216/4885
US-20050261274-A1 Lactams substituted by cyclic succinates as inhibitors of Abeta protein production BACE1, APP, APH1A SCN9A 277/4885SENP1 28/4885BRD4 3825/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B SCN9A 124/4885SENP1 436/4885BRD4 4067/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 SCN9A 115/4885SENP1 438/4885BRD4 4078/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A SCN9A 84/4885SENP1 405/4885BRD4 3720/4885
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BACE1, APP, APH1A SCN9A 277/4885SENP1 28/4885BRD4 3825/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A SCN9A 84/4885SENP1 405/4885BRD4 3720/4885
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION APH1A, APH1B, APP SCN9A 440/4885SENP1 229/4885BRD4 3102/4885
US-20030119815-A1 Lactams substituted by cyclic succinates as inhibitors of A-beta protein production APH1A, APH1B, APP SCN9A 197/4885SENP1 32/4885BRD4 4298/4885

“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.