SCHEMBL4193628

SCHEMBL4193628

CN1C(=O)C(NC(=O)[C@H](CC2CCCC2)[C@@H](O)CCc2ccccc2)N=C(c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.56
NOTCH3 Q9UM47 5/20 0.56
SCN9A Q15858 3/20 0.55
KCNH2 Q12809 2/20 0.55
CCKBR P32239 5/20 0.54
CCKAR P32238 1/20 0.52
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
GSAP A4D1B5 1/20 0.52
NOTCH2 Q04721 1/20 0.51
NOTCH4 Q99466 1/20 0.51

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
SCHEMBL4193630 1.00 NOTCH1 (0.56) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4980042 1.00 NOTCH1 (0.56) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4189574 0.95 KCNH2 (0.61) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4189575 0.95 KCNH2 (0.61) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4182725 0.92 SCN9A (0.62) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4182728 0.92 SCN9A (0.62) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL7595538 0.91 KCNH2 (0.58) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4183072 0.91 KCNH2 (0.58) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4183070 0.91 KCNH2 (0.58) NOTCH1NOTCH3SCN9AKCNH2CCKBR
SCHEMBL4182199 0.89 PSEN1 (0.62) NOTCH1NOTCH3SCN9AKCNH2CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US claimed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US claimed
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production OLSON RICHARD E (US) 2005-05-26 US claimed
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-09-04 US claimed
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 claimed
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 US claimed
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-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
EP-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP 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
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO 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-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A NOTCH1 575/4885NOTCH3 1575/4885SCN9A 84/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B NOTCH1 622/4885NOTCH3 1742/4885SCN9A 124/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 NOTCH1 673/4885NOTCH3 1796/4885SCN9A 115/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A NOTCH1 575/4885NOTCH3 1575/4885SCN9A 84/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A NOTCH1 575/4885NOTCH3 1575/4885SCN9A 84/4885

“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.