SCHEMBL5561897

SCHEMBL5561897

COc1ccc2[nH]cc(CCN3C(=O)C(C(C)C)Oc4ccc(Cl)cc4C3C(=O)Nc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HCRTR2 O43614 6/20 0.43
TRPV1 Q8NER1 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HCRTR1 O43613 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
FAAH O00519 2/20 0.42
NAMPT P43490 1/20 0.41
MAPT P10636 1/20 0.41
SNCA P37840 1/20 0.40

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
SCHEMBL5561282 0.93 MEN1 (0.50) MEN1KMT2APTGS1PTGS2HCRTR2
SCHEMBL5557097 0.89 ALDH1A1 (0.42) MEN1KMT2APTGS2HCRTR2TRPV1
SCHEMBL5561969 0.87 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5561891 0.87 LMNA (0.46) TRPV1NPC1RAB9ABCHEACHE
SCHEMBL5563229 0.86 RAB9A (0.40) MEN1KMT2APTGS2TRPV1NPC1
SCHEMBL5562108 0.84 MEN1 (0.48) MEN1KMT2APTGS1PTGS2HCRTR2
SCHEMBL5556324 0.84 MEN1 (0.46) MEN1KMT2APTGS1PTGS2HCRTR2
SCHEMBL5561309 0.83 ALDH1A1 (0.43) MEN1KMT2AHCRTR2TRPV1NPC1
SCHEMBL6025784 0.81 MC4R (0.43) MEN1KMT2APTGS1NPC1RAB9A
SCHEMBL5561278 0.81 LMNA (0.47) MEN1KMT2ATRPV1NPC1RAB9A

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 3 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
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

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 MEN1 4394/4885KMT2A 1779/4885PTGS1 218/4885

“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.