SCHEMBL6405784

SCHEMBL6405784

CC(C)(C)[C@H](O)Cn1cnc(Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.42
TRPA1 O75762 2/20 0.42
LPAR1 Q92633 1/20 0.37
CPB2 Q96IY4 1/20 0.35
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
IDH1 O75874 1/20 0.33
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33
CACNA1D Q01668 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL6602311 1.00 SLC5A2 (0.42) SLC5A2TRPA1LPAR1CPB2CD74
SCHEMBL6407470 0.77 LMNA (0.47) SLC5A2ALDH1A1LMNAMAPK1HTT
SCHEMBL6404491 0.77 LMNA (0.47) SLC5A2ALDH1A1LMNAMAPK1HTT
SCHEMBL6616678 0.74 TLR8 (0.33) TRPA1CD74MIFALDH1A1KCNMA1
SCHEMBL30741761 0.74 HPGDS (0.50) CPB2KCNH2ALDH1A1KCNMA1MAPT
SCHEMBL6182324 0.70 LTA4H (0.40) CPB2KCNMA1LTA4HTSHR
SCHEMBL6952807 0.68 SIGMAR1 (0.45) ALDH1A1KCNMA1MAPK1HTTMAPT
SCHEMBL6402795 0.67 LMNA (0.44) KCNH2ALDH1A1LMNAMAPK1HTT
SCHEMBL1691046 0.66 GRN (0.47) CPB2MAPT
SCHEMBL5018774 0.66 HPGDS (0.46) CPB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ SLC5A2 3640/4885TRPA1 4855/4885LPAR1 3885/4885

“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.