SCHEMBL6450140

SCHEMBL6450140

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.43
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.37
CASP3 P42574 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6447732 0.91 LSS (0.47) LSSGAATRPA1CASP3NPC1
SCHEMBL6447639 0.89 LSS (0.54) LSSGAAALDH1A1MEN1LMNA
SCHEMBL7142947 0.87 LSS (0.39) LSSGAATRPA1CASP3NPC1
SCHEMBL6447603 0.87 LSS (0.55) LSSGAATRPA1NPC1RAB9A
SCHEMBL6450256 0.84 LSS (0.47) LSSMGLLALDH1A1MEN1LMNA
SCHEMBL4804239 0.82 LSS (0.64) LSSLMNAL3MBTL1
SCHEMBL4804244 0.82 LSS (0.64) LSSLMNAL3MBTL1
SCHEMBL6447566 0.80 LSS (0.61) LSSGAATRPA1NPC1RAB9A
SCHEMBL6446588 0.79 LSS (0.55) LSSGAAMGLLSMN1; SMN2L3MBTL1
SCHEMBL6449189 0.78 LSS (0.70) LSSGAATRPA1NPC1RAB9A

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 591/4885TRPA1 3638/4885

“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.