SCHEMBL5561822

SCHEMBL5561822

CCCCNC(=O)C1c2ccc(N(CC)CC)cc2OC(C(C)C)C(=O)N1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ACKR3 P25106 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
P2RX7 Q99572 1/20 0.36
KCNA5 P22460 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
GFER P55789 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6026874 0.89 ACKR3 (0.38) ACKR3ALDH1A1KDM4ESMN1; SMN2P2RX7
SCHEMBL5562516 0.88 FAAH (0.40) LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL5562398 0.88 MAPT (0.39) LMNAACKR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5562513 0.87 ACKR3 (0.42) ACKR3KCNH2
SCHEMBL5562246 0.85 KCNA5 (0.40) LMNAALDH1A1SMN1; SMN2KCNA5GFER
SCHEMBL5561340 0.85 ALDH1A1 (0.41) LMNAALDH1A1KDM4EGFERKMT2A
SCHEMBL5562392 0.83 MAPT (0.47) LMNAALDH1A1SMN1; SMN2P2RX7KCNA5
SCHEMBL5556322 0.77 KMT2A (0.44) ALDH1A1KCNA5HDAC3HDAC1HDAC2
SCHEMBL5561335 0.76 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2KCNA5
SCHEMBL5555915 0.76 KCNA5 (0.43) LMNAACKR3KDM4EKCNA5KCNH2

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 759/4885ACKR3 3695/4885ALDH1A1 724/4885

“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.