SCHEMBL4905758

SCHEMBL4905758

OCC1(CCCc2ccccc2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.58
OPRL1 P41146 1/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.48
GAA P10253 1/20 0.46
OPRD1 P41143 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4909810 1.00 OPRM1 (0.58) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL4904161 0.89 ALDH1A1 (0.56) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL4901657 0.89 ALDH1A1 (0.56) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL22617005 0.85 OPRM1 (0.55) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL13545892 0.84 ALDH1A1 (0.55) OPRM1OPRL1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL22616948 0.83 OPRM1 (0.53) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL22616949 0.83 MEN1 (0.47) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL5881047 0.81 OPRM1 (0.54) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL3412722 0.79 OPRM1 (0.59) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL4904341 0.77 GAA (0.52) MEN1KMT2AKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 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 (2 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE OPRM1 4338/4885OPRL1 2177/4885MEN1 4424/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE OPRM1 4338/4885OPRL1 2177/4885MEN1 4424/4885

“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.