SCHEMBL5039302

SCHEMBL5039302

CCN(CCO)CCCCOCC1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
LSS P48449 5/20 0.46
MGLL Q99685 5/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5040564 0.97 HRH3 (0.52) HRH3LSSMGLLMAPTHPGD
SCHEMBL5036105 0.91 LSS (0.50) HRH3LSSMGLLMAPTHPGD
SCHEMBL5043392 0.88 HRH3 (0.51) HRH3LSSMGLLMAPTHPGD
SCHEMBL5043596 0.87 LSS (0.55) HRH3LSSMGLLMAPTHPGD
SCHEMBL5039066 0.86 LSS (0.45) LSSHPGDMEN1KMT2APOLB
SCHEMBL6447929 0.86 LSS (0.54) HRH3LSSMGLLHPGDMEN1
SCHEMBL5038776 0.85 LSS (0.45) HRH3LSSMGLLMAPTHPGD
SCHEMBL7193894 0.84 HPGD (0.47) LSSMGLLMAPTHPGDMEN1
SCHEMBL6448141 0.83 LSS (0.52) HRH3LSSMGLLHPGDMEN1
SCHEMBL5043464 0.83 LSS (0.44) LSSHPGDMEN1KMT2APOLB

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-1317432-B1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
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 HRH3 3838/4885LSS 2/4885MGLL 691/4885

“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.