SCHEMBL4804189

SCHEMBL4804189

CCN(CC)C(=O)CCCC[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.40
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM5A P29375 4/20 0.37
PHF8 Q9UPP1 4/20 0.37
KDM2A Q9Y2K7 4/20 0.37
KDM4C Q9H3R0 3/20 0.37
KDM7A Q6ZMT4 1/20 0.37
KAT6A Q92794 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
HSD11B1 P28845 1/20 0.34
GBA1 P04062 2/20 0.33
KDM4A O75164 1/20 0.33
AR P10275 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL4804187 1.00 LSS (0.40) LSSLMNAHDAC1HDAC2HDAC6
SCHEMBL4804314 0.85 ALDH1A1 (0.42) LSSHDAC1HDAC2HDAC6KDM5A
SCHEMBL4803405 0.84 KDM5A (0.43) LSSLMNAHDAC1HDAC2HDAC6
SCHEMBL4803398 0.84 KDM5A (0.43) LSSLMNAHDAC1HDAC2HDAC6
SCHEMBL14231104 0.83 LSS (0.43) LSSHDAC1HDAC2HDAC6KAT6A
SCHEMBL4805133 0.81 LSS (0.44) LSSHDAC1HDAC2HDAC6KAT6A
SCHEMBL4805126 0.81 LSS (0.44) LSSHDAC1HDAC2HDAC6KAT6A
SCHEMBL4808648 0.81 ALDH1A1 (0.38) LSSHDAC1HDAC2HDAC6KAT6A
SCHEMBL4808631 0.81 ALDH1A1 (0.38) LSSHDAC1HDAC2HDAC6KAT6A
SCHEMBL4803152 0.80 LSS (0.46) LSSHDAC1HDAC2HDAC6KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 2735/4885HDAC1 3674/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 2735/4885HDAC1 3674/4885

“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.