SCHEMBL6450233

SCHEMBL6450233

C=CCN(C)CCCCCCOC1CCN(C(=O)Nc2cccc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.58
KDM4E B2RXH2 12/20 0.48
HSD17B10 Q99714 7/20 0.48
ALDH1A1 P00352 7/20 0.48
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL6447893 0.84 LSS (0.58) LSSKDM4EHDAC3HDAC4HDAC1
SCHEMBL6448959 0.81 LSS (0.62) LSSPOLBTSHRLMNAALOX15
SCHEMBL6450962 0.79 LSS (0.60) LSSALDH1A1
SCHEMBL6446362 0.78 LSS (0.65) LSS
SCHEMBL6455119 0.77 LSS (0.65) LSS
SCHEMBL5638783 0.76 LSS (0.46) LSSKDM4EHSD17B10ALDH1A1USP2
SCHEMBL6451133 0.76 LSS (0.67) LSSKMT2A
SCHEMBL6450225 0.76 LSS (0.62) LSSKMT2A
SCHEMBL5637888 0.75 LSS (0.45) LSSKDM4EMAPK1KMT2A
SCHEMBL6448079 0.74 LSS (0.60) LSS

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 LSS 2/4885KDM4E 3840/4885HSD17B10 66/4885

“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.