SCHEMBL4907162

SCHEMBL4907162

COC(=O)C1(Cc2ccccc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
TACR3 P29371 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
ADRB2 P07550 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
GAA P10253 1/20 0.44
MMP1 P03956 1/20 0.43
CCR5 P51681 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30683842 0.98 TACR1 (0.48) TACR1TACR3KDM4ELMNAALDH1A1
SCHEMBL15960834 0.92 TACR1 (0.50) TACR1TACR3KDM4ELMNAALDH1A1
SCHEMBL27994909 0.84 MEN1 (0.49) KDM4ELMNAALDH1A1MEN1NPC1
SCHEMBL8586015 0.84 ALDH1A1 (0.52) LMNAALDH1A1HTTMEN1NPC1
SCHEMBL14074874 0.84 CYP19A1 (0.50) KDM4EALDH1A1CYP4F2CYP4A11GAA
SCHEMBL4632632 0.84 SLC6A2 (0.50) TACR1TACR3KDM4ELMNAALDH1A1
SCHEMBL28840825 0.84 CYP4F2 (0.42) KDM4EALDH1A1HTTNPC1KMT2A
SCHEMBL14074899 0.84 KDM4E (0.62) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL12353911 0.84 CYP4F2 (0.44) TACR1TACR3KDM4ELMNAALDH1A1
SCHEMBL5750629 0.84 POLB (0.46) TACR1TACR3KDM4ELMNAALDH1A1

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-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
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 TACR1 1802/4885TACR3 329/4885KDM4E 466/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE TACR1 1802/4885TACR3 329/4885KDM4E 466/4885

“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.