SCHEMBL6450779

SCHEMBL6450779

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.61
NPY2R P49146 3/20 0.38
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL6447991 0.94 LSS (0.70) LSSNPY2RMGLLGAASMN1; SMN2
SCHEMBL6446588 0.91 LSS (0.55) LSSNPY2RMGLLGAASMN1; SMN2
SCHEMBL6447937 0.90 LSS (0.51) LSSNPY2RMGLLGAASMN1; SMN2
SCHEMBL6448159 0.85 LSS (0.52) LSSMGLLSMN1; SMN2
SCHEMBL6447566 0.84 LSS (0.61) LSSNPY2RMGLLGAATRPA1
SCHEMBL4803926 0.82 LSS (0.89) LSSSMN1; SMN2L3MBTL1
SCHEMBL4803931 0.82 LSS (0.89) LSSSMN1; SMN2L3MBTL1
SCHEMBL6449787 0.81 LSS (0.62) LSSNPY2RGAA
SCHEMBL6449189 0.80 LSS (0.70) LSSNPY2RMGLLGAATRPA1
SCHEMBL7142436 0.80 LSS (0.46) LSSNPY2RMGLLGAA

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 2 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
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US 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 2/4885NPY2R 1799/4885MGLL 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.