SCHEMBL5025643

SCHEMBL5025643

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
LMNA P02545 1/20 0.40
LSS P48449 1/20 0.39
BTK Q06187 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ACHE P22303 2/20 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
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRM4 P08173 1/20 0.32
LTA4H P09960 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
SCHEMBL5025644 1.00 KMT2A (0.47) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL5024032 0.86 KMT2A (0.48) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL5024028 0.86 KMT2A (0.48) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL5164421 0.85 LSS (0.34) KMT2ALSSACHEFPR3FPR2
SCHEMBL5164413 0.85 LSS (0.34) KMT2ALSSACHEFPR3FPR2
SCHEMBL5025592 0.84 NR1H2 (0.42) KMT2ALSSACHEFPR3FPR2
SCHEMBL5025593 0.84 NR1H2 (0.42) KMT2ALSSACHEFPR3FPR2
SCHEMBL6018374 0.84 LSS (0.36) KMT2ALSSACHEFPR3FPR2
SCHEMBL6018377 0.84 LSS (0.36) KMT2ALSSACHEFPR3FPR2
SCHEMBL27374399 0.84 HTR2C (0.37) KMT2ALSSBTKACHEFPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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 (2 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 KMT2A 1378/4885SMN1; SMN2 4827/4885PLG 2104/4885
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 KMT2A 916/4885SMN1; SMN2 4837/4885PLG 508/4885

“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.