SCHEMBL7946066

SCHEMBL7946066

CC(C)CNC(=O)C(C)(C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP1 P03956 2/20 0.43
MMP8 P22894 2/20 0.43
EPHX1 P07099 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
MLYCD O95822 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
ANPEP P15144 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL9497738 0.84 ANPEP (0.34) CYP2D6CYP2C19ALDH1A1ANPEPDNPEP
SCHEMBL8932181 0.81 CYP2D6 (0.54) CYP2D6CYP2C19MMP1MMP8EPHX1
Oxalic Acid SCHEMBL9795231 0.79 CYP2D6 (0.34) CYP2D6CYP2C19KMT2AALDH1A1MEN1
SCHEMBL8225897 0.78 SYK (0.32) ANPEPDNPEP
SCHEMBL8225884 0.78 SYK (0.32) ANPEPDNPEP
SCHEMBL1310832 0.78 ANPEP (0.46) MMP8KMT2AMAPTGAAMEN1
SCHEMBL9795246 0.78 MAPT (0.32) MAPT
SCHEMBL25389856 0.77 CYP2C19 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL22318581 0.77 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL18907825 0.77 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1

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-20100003276-A1 Methods for treating anthrax and inhibiting lethal factor HERMES JEFFERY D 2010-01-07 US disclosed
US-7504425-B2 Compounds useful in the treatment of anthrax and inhibiting lethal factor MERCK & CO., INC. (US) 2009-03-17 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-20100003276-A1 Methods for treating anthrax and inhibiting lethal factor ANTXR2, SERPINB1, APAF1 CYP2D6 4661/4885CYP2C19 4580/4885MMP1 1037/4885

“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.