SCHEMBL5165129

SCHEMBL5165129

CNC(=O)CCN(C)C(=O)C1CCC(CCN(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.60
LMNA P02545 1/20 0.43
CHRM4 P08173 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.36
ACHE P22303 9/20 0.35
P2RX3 P56373 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
SCHEMBL5165133 1.00 LSS (0.60) LSSLMNACHRM4MEN1KMT2A
SCHEMBL5166800 0.91 LSS (0.63) LSSLMNACHRM4MEN1KMT2A
SCHEMBL5165457 0.91 LSS (0.63) LSSLMNACHRM4MEN1KMT2A
SCHEMBL5164524 0.88 LSS (0.62) LSSLMNACHRM4MEN1KMT2A
SCHEMBL5164523 0.88 LSS (0.62) LSSLMNACHRM4MEN1KMT2A
SCHEMBL5202830 0.86 LSS (0.65) LSSLMNACHRM4ACHE
SCHEMBL5202824 0.86 LSS (0.65) LSSLMNACHRM4ACHE
SCHEMBL5025718 0.86 LSS (0.68) LSSLMNACHRM4ACHE
SCHEMBL5025719 0.86 LSS (0.68) LSSLMNACHRM4ACHE
SCHEMBL5165319 0.85 LSS (0.59) LSSLMNACHRM4MEN1KMT2A

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 8 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 claimed
WO-2006125451-A1 HYDROXYALKYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-30 WO claimed
US-6965048-B2 Hydroxyalkylamide derivatives HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US claimed
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 claimed
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 3/4885LMNA 1042/4885CHRM4 198/4885

“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.