SCHEMBL5560916

SCHEMBL5560916

CCOC(=O)C(Br)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CTSK P43235 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL22123618 0.95 L3MBTL1 (0.37) METAP2ALDH1A1CTSKNPSR1TSHR
SCHEMBL28872183 0.91 L3MBTL1 (0.39) ALDH1A1NPSR1L3MBTL1CYP2D6
SCHEMBL11378743 0.91 L3MBTL1 (0.39) ALDH1A1NPSR1L3MBTL1CYP2D6
SCHEMBL27939505 0.85 CTSK (0.37) METAP2ALDH1A1CTSKNPSR1THRB
SCHEMBL1008531 0.84 CTSK (0.42) CTSKNPSR1TSHR
SCHEMBL14386506 0.83 CPN1 (0.42) L3MBTL1
SCHEMBL2297433 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL4425794 0.81 METAP2 (0.43) METAP2ALDH1A1CTSKNPSR1TSHR
SCHEMBL1008660 0.81 ZDHHC7 (0.42) CTSKNPSR1TSHRTHRB
SCHEMBL1009433 0.81 ZDHHC7 (0.42) CTSKNPSR1TSHRTHRB

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
EP-1631296-B1 2,3,4,5-TETRAHYDROBENZO¬F|¬1,4|OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2007-04-25 EP disclosed
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US disclosed
EP-1631296-A1 2,3,4,5-TETRAHYDROBENZO[F][1,4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
WO-2004100958-A1 2, 3, 4, 5-TETRAHYDROBENZO[F][1, 4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. HOFFMANN-LA ROCHE INC. 2004-11-25 US disclosed
EP-0703919-B1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1998-09-02 EP disclosed
US-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 US disclosed
EP-0703919-A1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS Roche Diagnostics GmbH (DE) 1996-04-03 EP disclosed
WO-1995000522-A1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1995-01-05 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-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. BACE1, BACE2, PSEN1 METAP2 1934/4885ALDH1A1 724/4885CTSK 1368/4885

“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.