SCHEMBL6579829

SCHEMBL6579829

CC(C)CCCN1CCC(NC(=O)[C@@H](N)CC(C)C)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.39
ARG1 P05089 4/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
CTSK P43235 3/20 0.37
CACNA1B Q00975 1/20 0.36
ARG2 P78540 3/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
OPRL1 P41146 1/20 0.33
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 1/20 0.33
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
SLC7A5 Q01650 1/20 0.30

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
Hydrochloric Acid SCHEMBL6581857 0.99 GBA1 (0.38) GBA1ARG1HRH2HRH1CTSK
SCHEMBL6578071 0.83 CTSK (0.45) GBA1CTSKOPRL1
SCHEMBL6582865 0.78 CTSK (0.47) HRH2HRH1CTSK
SCHEMBL6352740 0.76 ARG1 (0.41) ARG1CTSKCACNA1BARG2DPP4
SCHEMBL5096613 0.75 CTSK (0.41) ARG1CTSKCACNA1BARG2DPP4
SCHEMBL5096619 0.75 CTSK (0.41) ARG1CTSKCACNA1BARG2DPP4
SCHEMBL5099528 0.74 CTSK (0.38) ARG1CTSKCACNA1BDPP4DPP8
SCHEMBL4692463 0.74 CTSK (0.38) ARG1CTSKCACNA1BDPP4DPP8
SCHEMBL4317290 0.73 CACNA1B (0.38) ARG1CTSKCACNA1BARG2DPP4
SCHEMBL6580377 0.73 UTS2R (0.54) CTSK

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
CN-1171870-C Cysteine protease inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-20 CN disclosed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS GBA1 161/4885ARG1 1086/4885HRH2 2099/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL GBA1 1394/4885ARG1 1518/4885HRH2 101/4885

“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.