SCHEMBL4909815

SCHEMBL4909815

OC(C(O)C1(CCCc2ccccc2)CCC1)C1(CCCc2ccccc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4904163 0.89 OPRM1 (0.41) OPRM1OPRL1OPRD1OPRK1SLC6A3
SCHEMBL2442748 0.80 ALDH1A1 (0.41) OPRM1OPRL1OPRD1OPRK1KDM4E
SCHEMBL4909810 0.74 OPRM1 (0.58) OPRM1OPRL1OPRD1KDM4EMEN1
SCHEMBL4905758 0.74 OPRM1 (0.58) OPRM1OPRL1OPRD1KDM4EMEN1
SCHEMBL6647972 0.73 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1KDM4E
SCHEMBL6647967 0.73 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5349572 0.71 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL4204848 0.68 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1SLC6A3
SCHEMBL20104682 0.68 MAOB (0.47) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL20198587 0.68 MAOB (0.47) OPRM1OPRL1OPRD1OPRK1SIGMAR1

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 3 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-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

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 2177/4885OPRD1 1926/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE OPRM1 4338/4885OPRL1 2177/4885OPRD1 1926/4885

“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.