SCHEMBL4806086

SCHEMBL4806086

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.56
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4806082 1.00 LSS (0.56) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4805197 1.00 LSS (0.56) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4805191 1.00 LSS (0.56) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4803572 0.99 LSS (0.55) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4803567 0.99 LSS (0.55) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4802405 0.96 LSS (0.53) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4802399 0.96 LSS (0.53) LSSGAACYP1A2CYP3A4CYP2C19
SCHEMBL4807801 0.91 LSS (0.67) LSS
SCHEMBL4806246 0.91 LSS (0.67) LSS
SCHEMBL4806252 0.91 LSS (0.67) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100455566-C Novel derivatives of aminocyclohexane HOFFMANN LA ROCHE (CH) 2009-01-28 CN disclosed
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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN 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 2/4885GAA 824/4885CYP1A2 75/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885GAA 824/4885CYP1A2 75/4885

“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.