SCHEMBL3343100

SCHEMBL3343100

CN1CCO[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](NC(=O)O)C2CCCCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.42
MME P08473 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 3/20 0.39
FPR2 P25090 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
HTT P42858 1/20 0.38
CCR1 P32246 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSB P07858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR1A P08908 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
SCHEMBL3343067 0.74 ACE (0.50) ACEMMEKMT2ACTSSCTSK
SCHEMBL3347165 0.72 PSEN1 (0.43) ACEMME
SCHEMBL3343004 0.72 ACE (0.38) ACEMMECYP3A4CYP2C19TSHR
SCHEMBL6092898 0.72 ACE (0.42) ACEMMEKMT2ACTSSCTSK
SCHEMBL3340791 0.70 PSEN1 (0.56) ACEMME
SCHEMBL3341491 0.69 PSEN1 (0.46) ACEMME
SCHEMBL27143850 0.67 HTR1E (0.60) TSHRFPR2KMT2ASMN1; SMN2
SCHEMBL27143848 0.67 HTR1E (0.60) TSHRFPR2KMT2ASMN1; SMN2
SCHEMBL4657601 0.66 ACE (0.40) ACEMMECYP3A4CYP2C19ALDH1A1
SCHEMBL3346941 0.66 ACE (0.40) ACEMMECYP3A4CYP2C19ALDH1A1

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 8 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

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 345/4885CYP3A4 1299/4885
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 774/4885CYP3A4 988/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP ACE 106/4885MME 263/4885CYP3A4 1501/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ACE 1364/4885MME 673/4885CYP3A4 1854/4885

“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.