SCHEMBL8422247

SCHEMBL8422247

CCC(=O)[C@@H]1CN(CCC(C)C)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
SORT1 Q99523 1/20 0.33
VDR P11473 4/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.32
CYP1A2 P05177 1/20 0.32
PRKCD Q05655 3/20 0.32

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
SCHEMBL8237994 0.84 POLB (0.41) MEN1CYP2C19KMT2ADAOSMN1; SMN2
SCHEMBL8231870 0.83 MEN1 (0.37) MEN1CYP2C19KMT2ADAOSMN1; SMN2
SCHEMBL8232034 0.80 MMP1 (0.40) MEN1CYP2C19KMT2ADAOSMN1; SMN2
SCHEMBL8422246 0.76 P2RX7 (0.40) PRKCD
SCHEMBL10818207 0.70 MMP13 (0.36) ALDH1A1MMP1MMP13HTTPOLB
SCHEMBL11193620 0.66 MMP13 (0.38) MEN1CYP2C19KMT2AMMP1MMP13
SCHEMBL29005236 0.65 MMP13 (0.37) SMN1; SMN2ALDH1A1MMP1MMP13HTT
SCHEMBL29659094 0.62 MMP13 (0.33) MMP1MMP13
SCHEMBL29697284 0.61 MMP1 (0.33) MMP1MMP13
SCHEMBL14477946 0.61 POLB (0.73) MEN1CYP2C19KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377872-B2 Non-structural protein-3 (NS-3) protease inhibitors; viricides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 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-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, PREP MEN1 4165/4885CYP2C19 1390/4885KMT2A 3751/4885

“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.