SCHEMBL6450856

SCHEMBL6450856

CCCN(C)CC#CC1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
LSS P48449 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HSD11B1 P28845 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6449234 0.90 LSS (0.52) MGLLMAPTPOLBLSSL3MBTL3
SCHEMBL6451188 0.88 LSS (0.60) MGLLMAPTPOLBLSSL3MBTL3
SCHEMBL7139780 0.86 MGLL (0.46) MGLLMAPTPOLBLSSL3MBTL3
SCHEMBL6450256 0.86 LSS (0.47) MGLLMAPTPOLBLSSL3MBTL3
SCHEMBL6447603 0.84 LSS (0.55) MGLLLSS
SCHEMBL6448121 0.83 LSS (0.46) MGLLMAPTPOLBLSSKMT2A
SCHEMBL4801605 0.80 LSS (0.57) POLBLSSKMT2AMEN1HSD11B1
SCHEMBL4801608 0.80 LSS (0.57) POLBLSSKMT2AMEN1HSD11B1
SCHEMBL6447923 0.79 LSS (0.49) MGLLMAPTPOLBLSSL3MBTL3
SCHEMBL6448159 0.78 LSS (0.52) MGLLMAPTPOLBLSSKMT2A

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 MGLL 691/4885MAPT 4409/4885POLB 1769/4885

“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.