SCHEMBL5562167

SCHEMBL5562167

COc1ccc2c(c1)OC(C(C)C)C(=O)N(C1CCN(Cc3ccccc3)CC1)C2C(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.45
MCHR1 Q99705 1/20 0.44
FAAH O00519 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
BCHE P06276 3/20 0.43
DRD2 P14416 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 2/20 0.42
ACKR3 P25106 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5556165 0.90 ACHE (0.45) ACHEMCHR1SIGMAR1BCHEMAOB
SCHEMBL5562163 0.89 ACHE (0.49) ACHEMCHR1SIGMAR1MAOBACKR3
SCHEMBL5561854 0.89 ACHE (0.47) ACHEMCHR1BCHELMNASMN1; SMN2
SCHEMBL5556352 0.89 KMT2A (0.43) ACHEFAAHBCHEDRD2MAPT
SCHEMBL5561385 0.81 BCHE (0.42) ACHEFAAHBCHEDRD2MAOB
SCHEMBL5562153 0.80 MEN1 (0.44) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL5563041 0.79 GAA (0.39) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5561609 0.79 DRD4 (0.43) LMNAMAPTACKR3ALDH1A1KMT2A
SCHEMBL5557170 0.78 ACKR3 (0.44) LMNAMAPTMAOBACKR3ALDH1A1
SCHEMBL5563683 0.78 PTGER3 (0.42) MAPTKDM4EALDH1A1KMT2A

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 ACHE 212/4885MCHR1 4607/4885FAAH 140/4885

“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.