SCHEMBL6446577

SCHEMBL6446577

CN1CCN(CCCCCCOC2CCN(S(=O)(=O)Nc3ccccc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 7/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAD52 P43351 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NMT1 P30419 1/20 0.39
EPHX2 P34913 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 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
SCHEMBL6448035 0.91 HRH3 (0.44) ALDH1A1KDM4EPOLBBCHEMEN1
SCHEMBL6449079 0.91 BCHE (0.42) ALDH1A1KDM4EBCHEMEN1KMT2A
SCHEMBL6446292 0.90 HRH3 (0.45) ALDH1A1KDM4EPOLBBCHEMEN1
SCHEMBL6449783 0.90 HRH3 (0.45) ALDH1A1KDM4EPOLBBCHEMEN1
SCHEMBL6450872 0.88 BCHE (0.40) BCHE
SCHEMBL6449040 0.88 BCHE (0.44) BCHESIGMAR1
SCHEMBL6447870 0.88 EPHX2 (0.43) ALDH1A1KDM4EPOLBBCHEEPHX2
SCHEMBL6447895 0.87 BCHE (0.43) BCHE
SCHEMBL6447766 0.85 BCHE (0.38) BCHE
SCHEMBL6447741 0.85 MAOA (0.42) BCHE

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 5 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
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 ALDH1A1 1343/4885KDM4E 3840/4885POLB 1769/4885

“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.