SCHEMBL3344969

SCHEMBL3344969

CC(C)N1C(=O)[C@@H](N(C(=O)Cc2cc(F)cc(F)c2)C(=O)[C@H](C)N)[C@@H](c2ccccc2)Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
PSEN1 P49768 6/20 0.33
PSEN2 P49810 6/20 0.33
APH1B Q8WW43 6/20 0.33
NCSTN Q92542 6/20 0.33
APH1A Q96BI3 6/20 0.33
PSENEN Q9NZ42 6/20 0.33
DPP4 P27487 1/20 0.33
GSAP A4D1B5 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL3343556 0.87 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5641356 0.86 DRD2 (0.32) DRD2DRD4PSEN1PSEN2APH1B
SCHEMBL3344048 0.86 DRD2 (0.32) DRD2DRD4PSEN1PSEN2APH1B
SCHEMBL3551635 0.86 DRD2 (0.32) DRD2DRD4PSEN1PSEN2APH1B
SCHEMBL5227404 0.83 XIAP (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3342670 0.83 XIAP (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3342862 0.81 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841430 0.79 SMYD3 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4837550 0.79 SMYD3 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4845012 0.79 SMYD3 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
JP-2006503862-A 2006-02-02 JP claimed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO claimed
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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 (4 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B SCN9A 178/4885DRD2 4607/4885DRD4 4796/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 SCN9A 300/4885DRD2 3226/4885DRD4 3395/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP SCN9A 219/4885DRD2 4651/4885DRD4 4817/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 SCN9A 1777/4885DRD2 3685/4885DRD4 3934/4885

“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.