SCHEMBL5638995

SCHEMBL5638995

[CH2]C1(Cc2ccccc2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.37
HTT P42858 1/20 0.37
KDM1A O60341 4/20 0.37
CALM1 P0DP23 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL6494476 0.98 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL6672637 0.95 MAOA (0.50) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL2374698 0.91 MAOA (0.54) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL8347115 0.76 MAOA (0.54) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL11823681 0.76 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL5028981 0.76 MAOA (0.43) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL4581280 0.74 MAOA (0.52) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL268688 0.74 MAOA (0.52) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL1588016 0.74 MAOA (0.52) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL6647777 0.74 OPRM1 (0.44) MAOAMAOBOPRM1OPRK1OPRL1

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-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US claimed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US claimed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP claimed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO claimed
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 (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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE MAOA 2083/4885MAOB 2350/4885OPRM1 4338/4885

“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.