SCHEMBL5164413

SCHEMBL5164413

CN(CCC1CCC(CC(=O)O)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.34
ACHE P22303 2/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL5164421 1.00 LSS (0.34) LSSACHEKDM5AKDM7AKDM4C
SCHEMBL5025644 0.85 KMT2A (0.47) LSSACHEFPR3FPR2ANPEP
SCHEMBL5025643 0.85 KMT2A (0.47) LSSACHEFPR3FPR2ANPEP
SCHEMBL15778841 0.85 CCR5 (0.32) ITGB3ITGA2BFPR3FPR2ANPEP
SCHEMBL15778840 0.85 CCR5 (0.32) ITGB3ITGA2BFPR3FPR2ANPEP
SCHEMBL5025593 0.84 NR1H2 (0.42) LSSACHEFPR3FPR2KMT2A
SCHEMBL5025592 0.84 NR1H2 (0.42) LSSACHEFPR3FPR2KMT2A
SCHEMBL6018374 0.84 LSS (0.36) LSSACHEFPR3FPR2KMT2A
SCHEMBL6018377 0.84 LSS (0.36) LSSACHEFPR3FPR2KMT2A
SCHEMBL27374399 0.84 HTR2C (0.37) LSSACHEFPR3FPR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1993117-A Hydroxyalkyl amide compounds HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1768658-A1 HYDROXYALKYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
WO-2006125451-A1 HYDROXYALKYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-30 WO disclosed
US-6965048-B2 Hydroxyalkylamide derivatives HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
US-20050009906-A1 e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 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-20050009906-A1 e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate CYP51A1, CYP46A1, LSS LSS 3/4885ACHE 492/4885KDM5A 394/4885

“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.