SCHEMBL6446550

SCHEMBL6446550

CCCN(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
TRPV4 Q9HBA0 4/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.45
ALDH1A1 P00352 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
EPHX2 P34913 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
CCR6 P51684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TP53 P04637 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
SCHEMBL6447839 0.94 TRPV4 (0.46) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL6450254 0.91 TRPV4 (0.51) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL6449496 0.87 LSS (0.48) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL6446567 0.83 TRPV4 (0.48) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL4801118 0.82 HTR2A (0.54) HTR2AHTR2C
SCHEMBL4801123 0.82 HTR2A (0.54) HTR2AHTR2C
SCHEMBL6454882 0.82 MEN1 (0.52) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL6449475 0.82 TRPV4 (0.47) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL6446562 0.82 LSS (0.52) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL6449531 0.81 LSS (0.56) TRPV4MEN1KMT2AGAAALDH1A1

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 TRPV4 3282/4885MEN1 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.