SCHEMBL6449496

SCHEMBL6449496

C=CCN(C)CCC#CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TRPV4 Q9HBA0 4/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TGM2 P21980 1/20 0.40
EPHX2 P34913 2/20 0.40
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL6446562 0.94 LSS (0.52) LSSMEN1KMT2ATRPV4GAA
SCHEMBL6448071 0.91 MEN1 (0.47) LSSMEN1KMT2ATRPV4GAA
SCHEMBL6446550 0.87 TRPV4 (0.48) MEN1KMT2ATRPV4GAAALDH1A1
SCHEMBL6447839 0.82 TRPV4 (0.46) LSSMEN1KMT2ATRPV4GAA
SCHEMBL6450254 0.80 TRPV4 (0.51) MEN1KMT2ATRPV4GAAALDH1A1
SCHEMBL6446567 0.79 TRPV4 (0.48) LSSMEN1KMT2ATRPV4GAA
SCHEMBL6449475 0.77 TRPV4 (0.47) LSSMEN1KMT2ATRPV4GAA
SCHEMBL6455036 0.77 MEN1 (0.49) MEN1KMT2ATRPV4GAAALDH1A1
SCHEMBL6446526 0.77 MEN1 (0.49) MEN1KMT2ATRPV4GAAALDH1A1
SCHEMBL6447874 0.76 LSS (0.51) LSSMEN1KMT2ATRPV4GAA

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 2/4885MEN1 1040/4885KMT2A 3743/4885

“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.