SCHEMBL3346848

SCHEMBL3346848

CC(C)N1C(=O)[C@@H](N)[C@@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.39
KMT2A Q03164 1/20 0.38
ADK P55263 1/20 0.36
ALDH1A1 P00352 3/20 0.34
P2RX4 Q99571 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADCY2 Q08462 1/20 0.33
MAOA P21397 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HTT P42858 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL3343950 0.78 XIAP (0.43) XIAPKMT2AALDH1A1P2RX4L3MBTL1
SCHEMBL3343956 0.78 XIAP (0.43) XIAPKMT2AALDH1A1P2RX4L3MBTL1
SCHEMBL7349339 0.75 PDE3B (0.49) XIAPKMT2AALDH1A1L3MBTL1MAOA
SCHEMBL12345879 0.72 XIAP (0.45) XIAPKMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL3349518 0.72 ALDH1A1 (0.49) KMT2AALDH1A1L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL2235022 0.71 XIAP (0.44) XIAPKMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL6207663 0.71 MAOA (0.40) KMT2AADKALDH1A1L3MBTL1F10
SCHEMBL3406444 0.71 F10 (0.41) KMT2AALDH1A1L3MBTL1F10HTT
SCHEMBL3347335 0.71 F10 (0.41) KMT2AALDH1A1L3MBTL1F10HTT
SCHEMBL3342962 0.71 MAOA (0.40) KMT2AADKALDH1A1L3MBTL1F10

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 9 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
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 XIAP 488/4885KMT2A 4442/4885ADK 1958/4885
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 XIAP 3959/4885KMT2A 2922/4885ADK 1013/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP XIAP 323/4885KMT2A 4483/4885ADK 1877/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 XIAP 2223/4885KMT2A 1685/4885ADK 4095/4885

“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.