SCHEMBL3343975

SCHEMBL3343975

COc1ccc(CN2CCO[C@H](c3ccccc3)[C@H](N(C(=O)Cc3cc(F)cc(F)c3)C(=O)[C@H](C)N)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
BACE1 P56817 3/20 0.34
DRD4 P21917 1/20 0.34
DRD2 P14416 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CCR5 P51681 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3545865 0.84 ACE (0.37) CCR5MEN1KMT2A
SCHEMBL3343971 0.77 PSEN1 (0.48)
SCHEMBL3346834 0.77 PSEN1 (0.34) CCR5
SCHEMBL3342540 0.75 PSEN1 (0.42) MEN1KMT2A
SCHEMBL3342984 0.74 CCR5 (0.34) CCR5
SCHEMBL3342704 0.73 PSEN1 (0.39) MEN1KMT2A
SCHEMBL3346668 0.73 MC4R (0.37) ALDH1A1TP53POLBMEN1KMT2A
SCHEMBL3342670 0.72 XIAP (0.35) MEN1KMT2A
SCHEMBL5227404 0.72 XIAP (0.35) MEN1KMT2A
SCHEMBL3346760 0.72 CCR5 (0.34) BACE1CCR5

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 15 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

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 DPP4 1064/4885CYP3A4 1299/4885ALDH1A1 2343/4885
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 DPP4 210/4885CYP3A4 988/4885ALDH1A1 1630/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP DPP4 792/4885CYP3A4 1501/4885ALDH1A1 2328/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 DPP4 1577/4885CYP3A4 1854/4885ALDH1A1 1230/4885

“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.