SCHEMBL6449214

SCHEMBL6449214

CCN(CCO)CCCCOCCC1CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LSS P48449 4/20 0.36
GPR119 Q8TDV5 3/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
RAB9A P51151 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.32
CHRM4 P08173 1/20 0.31
ENPP2 Q13822 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CCR8 P51685 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
SCHEMBL6450100 0.94 GPR119 (0.35) ALDH1A1KDM4ELSSGPR119RAB9A
SCHEMBL5035602 0.85 ALDH1A1 (0.38) ALDH1A1KDM4ELSSGPR119RAB9A
SCHEMBL7174776 0.80 HRH2 (0.39) GPR119RAB9AHRH2HRH1HRH3
SCHEMBL7166277 0.80 BCHE (0.38) ALDH1A1KDM4ELSSBCHEACHE
SCHEMBL6449508 0.78 LSS (0.43) LSSGPR119RAB9AENPP2
SCHEMBL6446418 0.77 LSS (0.58) ALDH1A1LSSGPR119HRH3
SCHEMBL1692765 0.77 RAB9A (0.46) GPR119RAB9AL3MBTL1GAANOS3
SCHEMBL5036105 0.75 LSS (0.50) ALDH1A1LSSHRH3
SCHEMBL27747836 0.74 RAB9A (0.43) GPR119RAB9AHRH2HRH1L3MBTL1
SCHEMBL6446450 0.74 LSS (0.56) ALDH1A1LSSHRH3

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
CN-1231466-C New piperidine derivatives HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
CN-1468220-A New piperidine derivatives - 2004-01-14 CN disclosed
EP-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (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-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 ALDH1A1 1343/4885KDM4E 3840/4885LSS 2/4885

“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.