SCHEMBL5555788

SCHEMBL5555788

CC(C)C1Oc2ccc(Br)cc2C(C(=O)O)N(C2CCN(Cc3ccccc3)CC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.42
MAOB P27338 4/20 0.41
FPR2 P25090 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A12 P48065 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL5555862 0.88 KMT2A (0.44) KMT2AMCHR1MAOBFPR2SLC6A12
SCHEMBL5561858 0.84 CCR1 (0.36) KMT2A
SCHEMBL5561225 0.81 ACKR3 (0.45) SIGMAR1SLC6A12MAPTSMN1; SMN2
SCHEMBL5556352 0.79 KMT2A (0.43) KMT2AMAOBFPR2MAPTACHE
SCHEMBL5561609 0.79 DRD4 (0.43) KMT2AMAPT
SCHEMBL5557170 0.78 ACKR3 (0.44) KMT2AMAOBMAPT
SCHEMBL5556349 0.78 ALDH1A1 (0.47) MAPTSMN1; SMN2ACHE
SCHEMBL5556688 0.77 NR2F2 (0.39) KMT2AMCHR1MAOBSLC6A12SLC6A13
SCHEMBL5562340 0.75 ACHE (0.41) KMT2AMCHR1MAOBSIGMAR1ACHE
SCHEMBL5562323 0.74 KCNH2 (0.39) KMT2AMAOBMAPTSMN1; SMN2ACHE

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 KMT2A 1779/4885MCHR1 4607/4885MAOB 1323/4885

“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.