SCHEMBL4903774

SCHEMBL4903774

N#CCC1(COCc2ccccc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.43
TSHR P16473 1/20 0.42
CHRM3 P20309 3/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSK P43235 2/20 0.37
CTSS P25774 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.35
LTA4H P09960 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL26154986 0.94 TACR1 (0.45) TACR1TSHRCHRM3CTSLCTSB
SCHEMBL17100019 0.80 TSHR (0.52) TACR1TSHRCHRM3LMNALTA4H
SCHEMBL3490325 0.79 TSHR (0.47) TACR1TSHRCHRM3LMNA
SCHEMBL19074506 0.79 TSHR (0.47) TACR1TSHRCTSKLTA4H
SCHEMBL15043681 0.78 TACR1 (0.45) TACR1TSHRCHRM3LTA4H
SCHEMBL4208040 0.76 TACR1 (0.44) TACR1TSHRMAOBLMNALTA4H
SCHEMBL21214445 0.76 TACR1 (0.52) TACR1CTSS
SCHEMBL5722244 0.76 TSHR (0.47) TACR1TSHRLMNA
SCHEMBL100994 0.74 TACR1 (0.45) TACR1TSHRCHRM3CTSLCTSB
SCHEMBL15042326 0.74 TACR1 (0.42) TACR1TSHRCHRM3LMNA

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 7 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-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 TACR1 1802/4885TSHR 3687/4885CHRM3 4059/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE TACR1 1802/4885TSHR 3687/4885CHRM3 4059/4885

“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.