SCHEMBL8340247

SCHEMBL8340247

N[C@@H]1C(=O)Nc2cc(F)ccc2O[C@@H]1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
CYP19A1 P11511 1/20 0.39
PARP1 P09874 3/20 0.38
AKR1B1 P15121 3/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4923583 0.83 PARP1 (0.54) PARP1CA2TP53BRD4KDM4E
SCHEMBL3343396 0.83 PARP1 (0.54) PARP1CA2TP53BRD4KDM4E
SCHEMBL13991180 0.83 PARP1 (0.54) PARP1CA2TP53BRD4KDM4E
Hydrochloric Acid SCHEMBL4901800 0.81 PARP1 (0.53) PARP1CA2TP53BRD4KDM4E
Hydrochloric Acid SCHEMBL4110963 0.81 PARP1 (0.53) PARP1CA2TP53BRD4KDM4E
Hydrochloric Acid SCHEMBL4907950 0.81 PARP1 (0.53) PARP1CA2TP53BRD4KDM4E
SCHEMBL14260869 0.81 PARP1 (0.41) MAOBCYP19A1PARP1AKR1B1CA2
SCHEMBL13991187 0.81 ABCB1 (0.46) MAOBCYP19A1PARP1PGRKDM4E
SCHEMBL1562385 0.80 PARP1 (0.43) PARP1AKR1B1TP53PGRBRD4
SCHEMBL1561992 0.80 PARP1 (0.43) PARP1AKR1B1TP53PGRBRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US 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 (1 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-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 MAOB 1219/4885CYP19A1 1330/4885PARP1 3373/4885

“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.