SCHEMBL3342860

SCHEMBL3342860

CC(C)C[C@H](O)C(=O)N(C(=O)[C@@H](N)Cc1ccccc1)[C@@H]1C(=O)NCCS[C@@H]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
ANPEP P15144 2/20 0.34
RNPEP Q9H4A4 2/20 0.34
DNPEP Q9ULA0 2/20 0.34
OPRD1 P41143 4/20 0.34
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
MAP2K1 Q02750 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CIT O14578 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL3344927 0.93 MAP2K1 (0.35) ANPEPRNPEPDNPEPMAP2K1GPR88
SCHEMBL3346588 0.90 MAP2K1 (0.35) MAP2K1GPR88ALDH1A1HTTHSD17B10
SCHEMBL3342531 0.88 MAP2K1 (0.34) MAP2K1GPR88ALDH1A1HTTHSD17B10
SCHEMBL3345096 0.79 OPRM1 (0.34) OPRD1OPRM1OPRK1MAP2K1ALPI
SCHEMBL3345219 0.78 GPR88 (0.32) ANPEPRNPEPDNPEPMAP2K1GPR88
SCHEMBL3342737 0.68 TP53 (0.38) ALDH1A1HSD17B10
SCHEMBL3344917 0.67 PSEN1 (0.47) MAP2K1
SCHEMBL3342525 0.66 BACE1 (0.37) MAP2K1ALDH1A1HTTHSD17B10TDP1
SCHEMBL3343372 0.65 TP53 (0.39) ALDH1A1HSD17B10
SCHEMBL10841563 0.62 OPRD1 (0.52) OPRD1ALDH1A1TACR1

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-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
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 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
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 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 LTA4H 901/4885ANPEP 80/4885RNPEP 74/4885
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 LTA4H 1052/4885ANPEP 282/4885RNPEP 1484/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP LTA4H 840/4885ANPEP 56/4885RNPEP 101/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 LTA4H 2485/4885ANPEP 3261/4885RNPEP 3673/4885

“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.