SCHEMBL3343004

SCHEMBL3343004

CN1C(=O)[C@@H](NC(=O)[C@@H](N)C2CCCCC2)[C@@H](c2ccccc2)OC[C@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
MME P08473 1/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GAA P10253 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
METAP2 P50579 3/20 0.35
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3346896 0.83 HSD17B10 (0.50) ACEMMEALDH1A1TSHRHSD17B10
SCHEMBL3343313 0.83 HSD17B10 (0.50) ACEMMEALDH1A1TSHRHSD17B10
SCHEMBL3346941 0.78 ACE (0.40) ACEMMEALDH1A1HSD17B10BLM
SCHEMBL4657601 0.78 ACE (0.40) ACEMMEALDH1A1HSD17B10BLM
SCHEMBL3347165 0.78 PSEN1 (0.43) ACEMME
SCHEMBL3343100 0.72 ACE (0.42) ACEMMEGAAALDH1A1TSHR
SCHEMBL8342122 0.71 PSEN1 (0.56)
SCHEMBL3346831 0.71 PSEN1 (0.56)
SCHEMBL3343191 0.69 PSEN1 (0.45) ACEMME
SCHEMBL6211227 0.69 PSEN1 (0.45) ACEMME

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 ACE 139/4885MME 345/4885DPP8 1312/4885
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 ACE 154/4885MME 774/4885DPP8 972/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP ACE 106/4885MME 263/4885DPP8 923/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ACE 1364/4885MME 673/4885DPP8 1452/4885

“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.