SCHEMBL3343683

SCHEMBL3343683

C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)Nc2cc(Cl)ccc2O[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
PSEN1 P49768 14/20 0.44
PSEN2 P49810 14/20 0.44
APH1B Q8WW43 14/20 0.44
NCSTN Q92542 14/20 0.44
APH1A Q96BI3 14/20 0.44
PSENEN Q9NZ42 14/20 0.44
GSAP A4D1B5 1/20 0.42
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3343188 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4657151 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14394930 0.91 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6210920 0.91 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3342799 0.91 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4104595 0.91 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3346659 0.90 PSEN1 (0.43) HSD17B10PSEN1PSEN2APH1BNCSTN
SCHEMBL6210812 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3342833 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343059 0.83 PSEN1 (0.43) 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 12 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
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
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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 (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 HSD17B10 512/4885PSEN1 6/4885PSEN2 8/4885
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 HSD17B10 1589/4885PSEN1 3/4885PSEN2 4/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885PSEN1 6/4885PSEN2 8/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885PSEN1 157/4885PSEN2 194/4885

“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.