SCHEMBL5556320

SCHEMBL5556320

COc1ccc2[nH]cc(CCN3C(=O)C(C(C)C)Oc4c(OC)cc(Br)cc4C3C(=O)NC3CCCCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
F2 P00734 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MTNR1B P49286 2/20 0.41
MTNR1A P48039 1/20 0.41
HTR2A P28223 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SOS1 Q07889 1/20 0.38
ALOX5 P09917 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5556164 0.89 ALDH1A1 (0.41) MAPTKDM4ETRPV1ALDH1A1MTNR1B
SCHEMBL5561157 0.88 RAB9A (0.44) MAPTKDM4ETRPV1ALDH1A1MTNR1B
SCHEMBL5562105 0.88 LMNA (0.44) LMNAF2MAPTKDM4ETRPV1
SCHEMBL5556324 0.87 MEN1 (0.46) MAPTTRPV1ABCG2NPC1RAB9A
SCHEMBL6028398 0.86 ABCG2 (0.41) MAPTALDH1A1MTNR1BMTNR1AL3MBTL1
SCHEMBL5561278 0.86 LMNA (0.47) LMNAF2MAPTKDM4ETRPV1
SCHEMBL5561891 0.85 LMNA (0.46) LMNAF2MAPTKDM4ETRPV1
SCHEMBL5561965 0.82 F2 (0.45) LMNAF2MAPTTRPV1ALDH1A1
SCHEMBL5562035 0.80 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL5555423 0.78 THRB (0.48) MAPTALDH1A1MEN1KMT2A

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 LMNA 759/4885F2 1939/4885MAPT 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.