SCHEMBL10147890

SCHEMBL10147890

CCCCN(CC)[C@@H](C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
CES1 P23141 2/20 0.32
FAAH O00519 1/20 0.32
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.31
FDPS P14324 1/20 0.31
CES2 O00748 1/20 0.31
KDM5A P29375 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
SCHEMBL890095 0.87 FDPS (0.40) CA1CA12CA9PGRADRA2A
SCHEMBL890098 0.87 FDPS (0.40) CA1CA12CA9PGRADRA2A
SCHEMBL19882090 0.86 GGPS1 (0.41) CA1MMP1MMP2MMP3MMP8
SCHEMBL15044790 0.83 GGPS1 (0.42) CA1CES1FAAHALDH1A1CES2
SCHEMBL6449892 0.83 CA12 (0.39) CA1CA12CA9MMP1MMP2
SCHEMBL8919464 0.82 PGR (0.47) CA1MMP1MMP2MMP3MMP8
SCHEMBL8221317 0.82 PGR (0.47) CA1MMP1MMP2MMP3MMP8
SCHEMBL890220 0.82 PGR (0.47) CA1MMP1MMP2MMP3MMP8
SCHEMBL10140934 0.78 FDPS (0.43) CA1CA12CA9MMP1MMP2
SCHEMBL13338011 0.78 FDPS (0.43) CA1CA12CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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 (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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 CA1 4390/4885CA12 3519/4885CA9 3193/4885

“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.