SCHEMBL6450256

SCHEMBL6450256

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.47
MGLL Q99685 8/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
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
SCHEMBL6447923 0.91 LSS (0.49) LSSMGLLMAPTPOLBL3MBTL3
SCHEMBL7143062 0.86 LSS (0.46) LSSMGLLMAPTPOLBL3MBTL3
SCHEMBL6450856 0.86 MGLL (0.47) LSSMGLLMAPTPOLBL3MBTL3
SCHEMBL6450140 0.84 LSS (0.43) LSSMGLLPOLBKMT2AMEN1
SCHEMBL6449234 0.78 LSS (0.52) LSSMGLLMAPTPOLBL3MBTL3
SCHEMBL6448121 0.77 LSS (0.46) LSSMGLLMAPTPOLBKMT2A
SCHEMBL6451188 0.77 LSS (0.60) LSSMGLLMAPTPOLBL3MBTL3
SCHEMBL6447732 0.76 LSS (0.47) LSSMGLL
SCHEMBL5043394 0.75 LSS (0.80) LSSMGLLMAPTPOLBKMT2A
SCHEMBL5038775 0.75 LSS (0.58) LSSMGLLMAPTPOLBL3MBTL3

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 691/4885MAPT 4409/4885

“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.