SCHEMBL5166800

SCHEMBL5166800

CN(CCC1CCC(C(=O)N(C)CCC(=O)O)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.63
CHRM4 P08173 2/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2R P25116 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 5/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TMPRSS15 P98073 1/20 0.36

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
SCHEMBL5165457 1.00 LSS (0.63) LSSCHRM4LMNAMEN1KMT2A
SCHEMBL5165133 0.91 LSS (0.60) LSSCHRM4LMNAMEN1KMT2A
SCHEMBL5165129 0.91 LSS (0.60) LSSCHRM4LMNAMEN1KMT2A
SCHEMBL5164524 0.91 LSS (0.62) LSSCHRM4LMNAMEN1KMT2A
SCHEMBL5164523 0.91 LSS (0.62) LSSCHRM4LMNAMEN1KMT2A
SCHEMBL5202830 0.89 LSS (0.65) LSSCHRM4LMNAL3MBTL1ACHE
SCHEMBL5025718 0.89 LSS (0.68) LSSCHRM4LMNAL3MBTL1ACHE
SCHEMBL5202824 0.89 LSS (0.65) LSSCHRM4LMNAL3MBTL1ACHE
SCHEMBL5025719 0.89 LSS (0.68) LSSCHRM4LMNAL3MBTL1ACHE
SCHEMBL5165319 0.88 LSS (0.59) LSSCHRM4LMNAMEN1KMT2A

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
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 3/4885CHRM4 198/4885LMNA 1042/4885

“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.