SCHEMBL501214

SCHEMBL501214

CCC1(C(=O)O)C2CCCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PREP P48147 2/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP30 Q70CQ3 1/20 0.31
EPHX1 P07099 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL500778 0.80 ELANE (0.38) KMT2ACTSK
SCHEMBL6488112 0.77 EPHX1 (0.35) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL6016852 0.74 EPHX1 (0.37) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL6016853 0.74 EPHX1 (0.37) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL4767709 0.73 CHRM2 (0.38) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL143165 0.73 CHRM2 (0.38) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL144061 0.73 CHRM2 (0.38) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL6016798 0.71 MEN1 (0.39) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL6016799 0.71 MEN1 (0.39) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL31667788 0.71 NR1H2 (0.37) NR1H2GPR119HPGDCHRM2CHRM1

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-8106059-B2 Substituted pyrazines that inhibit protease cathepsin S and HCV replication VIROBAY, INC. (US) 2012-01-31 US disclosed
EP-2215076-A2 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION Virobay, Inc. (US) 2010-08-11 EP disclosed
US-20090270415-A1 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION VIROBAY, INC. (US) 2009-10-29 US disclosed
WO-2009055467-A2 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION VIROBAY, INC. (US) 2009-04-30 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-20090270415-A1 COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION CTSS, CTSV, CTSE NR1H2 2057/4885GPR119 2439/4885MEN1 3350/4885

“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.