SCHEMBL3344077

SCHEMBL3344077

CN(CC(O)c1ccccc1)C(=O)C1OC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
TSHR P16473 1/20 0.44
EPHX1 P07099 3/20 0.43
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL3344071 1.00 AOC3 (0.46) AOC3TSHREPHX1KDM4EMEN1
SCHEMBL3661053 0.78 EPHX1 (0.56) TSHREPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL3342998 0.77 TSHR (0.49) TSHREPHX1KDM4EMEN1KMT2A
SCHEMBL3343000 0.77 TSHR (0.49) TSHREPHX1KDM4EMEN1KMT2A
SCHEMBL2093623 0.75 AOC3 (0.61) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16901650 0.75 AOC3 (0.61) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4583626 0.75 AOC3 (0.61) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14393835 0.75 AOC3 (0.61) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14269872 0.75 TSHR (0.44) TSHREPHX1MEN1KMT2ATP53
SCHEMBL14260866 0.75 TSHR (0.44) TSHREPHX1MEN1KMT2ATP53

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 12 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-0414020-B1 Process for the preparation of clausenamide and neoclausenamide and their derivatives BAYER AG (DE) 1994-09-21 EP disclosed
US-5132433-A PROCESS FOR THE PREPARATION OF CLAUSENAMIDE AND NEOCLAUSENAMIDE, AND DERIVATIVES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
US-5093350-A DEHYDROCYCLOCLAUSENAMIDE, ITS PREPARATION AND USE IN TREATING CEREBRAL HYPOXIA BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
EP-0414020-A2 Process for the preparation of clausenamide and neoclausenamide and their derivatives BAYER AG (DE) 1991-02-27 EP 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 AOC3 2924/4885TSHR 4728/4885EPHX1 1669/4885
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 AOC3 2571/4885TSHR 4423/4885EPHX1 905/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP AOC3 2867/4885TSHR 4717/4885EPHX1 1674/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 AOC3 4557/4885TSHR 3858/4885EPHX1 1476/4885

“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.