SCHEMBL6447893

SCHEMBL6447893

C=CCN(C)CCCCCCOC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.58
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 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
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
FAAH O00519 1/20 0.38
NAMPT P43490 1/20 0.38
P2RY12 Q9H244 1/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL6448959 0.87 LSS (0.62) LSSFAAH
SCHEMBL6450233 0.84 LSS (0.58) LSSKDM4EHDAC3HDAC4HDAC1
SCHEMBL4806451 0.84 LSS (0.47) LSSHDAC3HDAC4HDAC1HDAC7
SCHEMBL4806454 0.84 LSS (0.47) LSSHDAC3HDAC4HDAC1HDAC7
SCHEMBL6455119 0.79 LSS (0.65) LSS
SCHEMBL6450962 0.79 LSS (0.60) LSSFAAHNAMPT
SCHEMBL5638776 0.77 LSS (0.47) LSSKDM4E
SCHEMBL6446362 0.76 LSS (0.65) LSS
SCHEMBL6451133 0.76 LSS (0.67) LSS
SCHEMBL6450225 0.76 LSS (0.62) 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 6 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-1583965-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN Pharmacia & Upjohn Company LLC (US) 2005-10-12 EP disclosed
WO-2004063749-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN PHARMACIA & UPJOHN COMPANY LLC (US) 2004-07-29 WO 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 3840/4885EPHX2 2011/4885

“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.