SCHEMBL6446678

SCHEMBL6446678

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.50
LSS P48449 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR6 P51684 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD11B1 P28845 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
SCHEMBL6446567 0.92 TRPV4 (0.48) TRPV4LSSGAAMEN1KMT2A
SCHEMBL6447874 0.91 LSS (0.51) TRPV4LSSGAAMEN1KMT2A
SCHEMBL6450254 0.84 TRPV4 (0.51) TRPV4GAAMEN1KMT2AEPHX2
SCHEMBL4804879 0.83 LSS (0.66) TRPV4LSS
SCHEMBL4804871 0.83 LSS (0.66) TRPV4LSS
SCHEMBL6450324 0.82 LSS (0.64) TRPV4LSSGAAMEN1KMT2A
SCHEMBL6448201 0.82 LSS (0.69) TRPV4LSSGAAMEN1KMT2A
SCHEMBL6449475 0.81 TRPV4 (0.47) TRPV4LSSGAAMEN1KMT2A
SCHEMBL6018501 0.81 LSS (0.55) TRPV4LSS
SCHEMBL6018504 0.81 LSS (0.55) TRPV4LSS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1231466-C New piperidine derivatives HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
CN-1468220-A New piperidine derivatives - 2004-01-14 CN 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 TRPV4 3282/4885LSS 2/4885GAA 591/4885

“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.