SCHEMBL6027202

SCHEMBL6027202

CC(C)C1Oc2ccc(Br)cc2C(C(=O)Nc2ccccc2)N(Cc2ccc(Cl)cc2F)C1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.35
AKR1A1 P14550 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCKBR P32239 2/20 0.33
PPARG P37231 1/20 0.33
P2RX7 Q99572 2/20 0.33
PPARD Q03181 1/20 0.32
GPR183 P32249 1/20 0.32

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
SCHEMBL5562782 0.95 KDM4E (0.36) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL5556397 0.88 MAPT (0.39) MAPTLMNAALDH1A1PKMGAA
SCHEMBL5562092 0.86 LMNA (0.34) MAPTLMNAALDH1A1KDM4ENPC1
SCHEMBL5561610 0.85 ALDH1A1 (0.37) MAPTALDH1A1KDM4EPKMNPC1
SCHEMBL5561678 0.85 MAPT (0.44) MAPT
SCHEMBL5562166 0.85 MAPT (0.42) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL5562639 0.82 LMNA (0.33) MAPTLMNAALDH1A1NPC1GAA
SCHEMBL5555513 0.82 LRRK2 (0.35) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL5562780 0.80 TP53 (0.43) MAPT
SCHEMBL5561545 0.80 FAAH (0.41) MAPTLMNAALDH1A1KDM4EKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US claimed
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 claimed
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 AKR1B1 1439/4885AKR1A1 1140/4885MAPT 318/4885

“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.