SCHEMBL5561967

SCHEMBL5561967

CCCCNC(=O)C1c2cc(Cl)ccc2OC(C(C)C)C(=O)N1Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 5/20 0.42
P2RX7 Q99572 1/20 0.41
C3AR1 Q16581 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALOX5 P09917 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
ALPG P10696 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5555742 0.91 ALOX5 (0.40) KCNA5KCNH2ALDH1A1TSHRFNTA
SCHEMBL5562904 0.87 ALDH1A1 (0.43) ALDH1A1P2RX7C3AR1LMNATSHR
SCHEMBL5556191 0.86 ALDH1A1 (0.43) ALDH1A1P2RX7C3AR1LMNAMAPT
SCHEMBL5556188 0.85 C3AR1 (0.49) ALDH1A1P2RX7C3AR1MAPT
SCHEMBL5556238 0.84 KCNA5 (0.43) KCNA5KCNH2ALDH1A1P2RX7LMNA
SCHEMBL5556335 0.78 MDM2 (0.39) ALDH1A1C3AR1TDP1HTTPOLB
SCHEMBL5561530 0.77 MDM2 (0.41) ALDH1A1LMNAMAPTTDP1HTT
SCHEMBL5556179 0.77 MDM2 (0.43) ALDH1A1POLBKDM4ESMN1; SMN2NPSR1
SCHEMBL5560808 0.76 KCNA5 (0.37) KCNA5KCNH2ALDH1A1LMNATSHR
SCHEMBL5562273 0.76 TDP1 (0.43) KCNA5KCNH2ALDH1A1LMNATDP1

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 KCNA5 355/4885KCNH2 733/4885ALDH1A1 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.