SCHEMBL3346896

SCHEMBL3346896

CN1C(=O)[C@@H](NC(=O)[C@@H](N)c2ccccc2)[C@@H](c2ccccc2)OC[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.50
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 6/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 5/20 0.50
HPGD P15428 4/20 0.50
CYP3A4 P08684 4/20 0.50
SLC15A2 Q16348 4/20 0.50
BLM P54132 2/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
KDM4E B2RXH2 8/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
CYP2C9 P11712 2/20 0.48
NR1I2 O75469 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL3343313 1.00 HSD17B10 (0.50) HSD17B10ALDH1A1TDP1MAPTKMT2A
SCHEMBL3346941 0.86 ACE (0.40) HSD17B10ALDH1A1TDP1MAPTKMT2A
SCHEMBL4657601 0.86 ACE (0.40) HSD17B10ALDH1A1TDP1MAPTKMT2A
SCHEMBL3343004 0.83 ACE (0.38) HSD17B10ALDH1A1TDP1MAPTKMT2A
SCHEMBL6211227 0.76 PSEN1 (0.45) ACEMME
SCHEMBL3343191 0.76 PSEN1 (0.45) ACEMME
SCHEMBL8342122 0.74 PSEN1 (0.56)
SCHEMBL3346831 0.74 PSEN1 (0.56)
SCHEMBL14367234 0.72 TSHR (0.37) ALDH1A1KMT2AADRA1AHTR2BTSHR
SCHEMBL8342144 0.72 TSHR (0.37) ALDH1A1KMT2AADRA1AHTR2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B10 512/4885ALDH1A1 2343/4885TDP1 1601/4885
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 1589/4885ALDH1A1 1630/4885TDP1 1730/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885ALDH1A1 2328/4885TDP1 1707/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885ALDH1A1 1230/4885TDP1 4578/4885

“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.