SCHEMBL5025735

SCHEMBL5025735

CN(C)CCCN(C)C(=O)[C@H]1CC[C@H](CN(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.53
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 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
SCHEMBL5025734 1.00 LSS (0.53) LSSLMNAGAAL3MBTL1MAPT
SCHEMBL5024179 0.93 LSS (0.55) LSSLMNAL3MBTL1MAPTACHE
SCHEMBL5024177 0.93 LSS (0.55) LSSLMNAL3MBTL1MAPTACHE
SCHEMBL5164450 0.91 LSS (0.51) LSSLMNAL3MBTL1MAPTACHE
SCHEMBL5164456 0.91 LSS (0.51) LSSLMNAL3MBTL1MAPTACHE
SCHEMBL6018794 0.84 LSS (0.55) LSSLMNAL3MBTL1MAPTACHE
SCHEMBL6018796 0.84 LSS (0.55) LSSLMNAL3MBTL1MAPTACHE
SCHEMBL5025718 0.83 LSS (0.68) LSSLMNAL3MBTL1ACHECYP1A2
SCHEMBL5025719 0.83 LSS (0.68) LSSLMNAL3MBTL1ACHECYP1A2
SCHEMBL5024153 0.83 LSS (0.54) LSSLMNAL3MBTL1MAPTMEN1

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
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 LSS 1/4885LMNA 1652/4885GAA 834/4885

“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.