SCHEMBL6449189

SCHEMBL6449189

CCCN(C)CCCC#CC1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.70
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY2R P49146 2/20 0.36
TRPA1 O75762 1/20 0.36
SRD5A1 P18405 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6447566 0.94 LSS (0.61) LSSMGLLGAANPY2RTRPA1
SCHEMBL6447603 0.89 LSS (0.55) LSSMGLLGAANPY2RTRPA1
SCHEMBL6447639 0.88 LSS (0.54) LSSGAAMEN1ALDH1A1LMNA
SCHEMBL6451188 0.85 LSS (0.60) LSSMGLLMEN1ALDH1A1LMNA
SCHEMBL6447991 0.85 LSS (0.70) LSSMGLLGAAMEN1ALDH1A1
SCHEMBL6449957 0.83 LSS (0.47) LSSMGLLGAAMEN1ALDH1A1
SCHEMBL6450336 0.83 LSS (0.49) LSSGAANPY2R
SCHEMBL4428287 0.82 LSS (1.00) LSS
SCHEMBL4428285 0.82 LSS (1.00) LSS
SCHEMBL6448135 0.82 LSS (0.46) LSSMGLLGAAMEN1ALDH1A1

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-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US 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 LSS 2/4885MGLL 691/4885GAA 591/4885

“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.