SCHEMBL5555512

SCHEMBL5555512

CC(C)C1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(Cc2ccc(N(C)C)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CCR1 P32246 6/20 0.42
ACKR3 P25106 1/20 0.39
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5556744 0.86 KCNA5 (0.32) MAPTGAAKDM4EALDH1A1
SCHEMBL5443004 0.85 MAPT (0.46) MAPTACKR3KDM4EALDH1A1TSHR
SCHEMBL5560808 0.85 KCNA5 (0.37) MAPTGFERTP53ALDH1A1TSHR
SCHEMBL5555513 0.85 LRRK2 (0.35) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL5561526 0.84 CASP1 (0.43) MAPTCCR1ACKR3SMN1; SMN2TSHR
SCHEMBL5561380 0.84 F2 (0.45) ACKR3KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5556392 0.84 TP53 (0.56) MAPTCCR1GAAKDM4ETP53
SCHEMBL5562089 0.83 MAPT (0.44) MAPTCCR1GAAALDH1A1TSHR
SCHEMBL5561543 0.83 ACKR3 (0.43) MAPTCCR1ACKR3
SCHEMBL5562635 0.82 MAPT (0.43) MAPTCCR1GAAALDH1A1TSHR

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 MAPT 318/4885CCR1 4708/4885ACKR3 3695/4885

“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.