SCHEMBL6450860

SCHEMBL6450860

CS(=O)(=O)OCC#CC1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NPY2R P49146 3/20 0.41
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
TRPA1 O75762 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LSS P48449 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6447767 0.89 LSS (0.41) GAANPY2RMGLLFAAHTRPA1
SCHEMBL7147952 0.86 FAAH (0.41) GAANPY2RMGLLFAAHTRPA1
SCHEMBL27579928 0.79 LSS (0.62) LSSLMNA
SCHEMBL6449957 0.79 LSS (0.47) GAAMGLLTRPA1NPC1RAB9A
SCHEMBL6448135 0.78 LSS (0.46) GAAMGLLTRPA1NPC1RAB9A
SCHEMBL6019239 0.77 LSS (0.46) LSSPOLBLMNA
SCHEMBL6019234 0.77 LSS (0.46) LSSPOLBLMNA
SCHEMBL6447603 0.77 LSS (0.55) GAANPY2RMGLLTRPA1NPC1
SCHEMBL6447566 0.76 LSS (0.61) GAANPY2RMGLLTRPA1NPC1
SCHEMBL6450140 0.76 LSS (0.43) GAAMGLLTRPA1NPC1RAB9A

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 GAA 591/4885NPY2R 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.