SCHEMBL5561609

SCHEMBL5561609

CC(C)C1Oc2ccccc2C(C(=O)NCc2ccccc2)N(C2CCN(Cc3ccccc3)CC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
BIRC2 Q13490 1/20 0.41
BIRC8 Q96P09 1/20 0.41
XIAP P98170 3/20 0.41
KCNA5 P22460 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACKR3 P25106 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
SCHEMBL5561225 0.92 ACKR3 (0.45) DRD4MAPTACKR3
SCHEMBL5556352 0.90 KMT2A (0.43) DRD4KMT2ABIRC2BIRC8MAPT
SCHEMBL5557170 0.89 ACKR3 (0.44) MEN1KMT2ALMNABIRC2BIRC8
SCHEMBL5556349 0.88 ALDH1A1 (0.47) MAPTMAPK1ALDH1A1ACKR3
SCHEMBL5562323 0.88 KCNH2 (0.39) MEN1KMT2ALMNABIRC2BIRC8
SCHEMBL5441762 0.82 XIAP (0.45) LMNAXIAPMAPTALDH1A1
SCHEMBL5555862 0.81 KMT2A (0.44) KMT2ALMNAALDH1A1ACKR3
SCHEMBL5561854 0.80 ACHE (0.47) LMNA
SCHEMBL5556688 0.80 NR2F2 (0.39) MEN1KMT2ABIRC2BIRC8ACKR3
SCHEMBL5555788 0.79 KMT2A (0.43) KMT2AMAPT

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 DRD4 2639/4885MEN1 4394/4885KMT2A 1779/4885

“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.