SCHEMBL6447566

SCHEMBL6447566

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.61
GAA P10253 1/20 0.39
MGLL Q99685 1/20 0.39
NPY2R P49146 2/20 0.37
TRPA1 O75762 1/20 0.37
SRD5A1 P18405 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL6449189 0.94 LSS (0.70) LSSGAAMGLLNPY2RTRPA1
SCHEMBL6447603 0.91 LSS (0.55) LSSGAAMGLLNPY2RTRPA1
SCHEMBL6447732 0.87 LSS (0.47) LSSGAAMGLLTRPA1NPC1
SCHEMBL6449234 0.84 LSS (0.52) LSSMGLL
SCHEMBL6450779 0.84 LSS (0.61) LSSGAAMGLLNPY2RTRPA1
SCHEMBL6447937 0.82 LSS (0.51) LSSGAAMGLLNPY2R
SCHEMBL6447639 0.82 LSS (0.54) LSSGAA
SCHEMBL4797897 0.82 LSS (0.89) LSS
SCHEMBL4797894 0.82 LSS (0.89) LSS
SCHEMBL6449957 0.81 LSS (0.47) LSSGAAMGLLTRPA1NPC1

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 2/4885GAA 591/4885MGLL 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.