SCHEMBL6449957

SCHEMBL6449957

O=C(Oc1ccc(Cl)cc1)N1CCC(C#CCCCCl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.47
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MGLL Q99685 1/20 0.40
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATF4 P18848 1/20 0.39

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
SCHEMBL6448135 0.90 LSS (0.46) LSSTRPA1ALDH1A1MEN1LMNA
SCHEMBL6449189 0.83 LSS (0.70) LSSTRPA1ALDH1A1MEN1LMNA
SCHEMBL6451174 0.82 MGLL (0.52) ALDH1A1MEN1LMNAHPGDKMT2A
SCHEMBL6447991 0.82 LSS (0.70) LSSALDH1A1MEN1LMNAHPGD
SCHEMBL6447767 0.81 LSS (0.41) LSSTRPA1ALDH1A1MEN1LMNA
SCHEMBL6447639 0.81 LSS (0.54) LSSALDH1A1MEN1LMNAHPGD
SCHEMBL6447566 0.81 LSS (0.61) LSSTRPA1NPC1RAB9AGAA
SCHEMBL6450779 0.79 LSS (0.61) LSSTRPA1GAAMGLLSMN1; SMN2
SCHEMBL6450860 0.79 GAA (0.41) LSSTRPA1ALDH1A1MEN1LMNA
SCHEMBL6447732 0.78 LSS (0.47) LSSTRPA1NPC1RAB9AGAA

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 2/4885TRPA1 3638/4885ALDH1A1 1343/4885

“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.