SCHEMBL7945922

SCHEMBL7945922

CC(C)CCCNC(=O)[C@H](C)N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.49
DNPEP Q9ULA0 3/20 0.49
DPP7 Q9UHL4 3/20 0.47
RRM1 P23921 1/20 0.43
SLC15A1 P46059 1/20 0.43
RNPEP Q9H4A4 3/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
LAP3 P28838 3/20 0.40
DPP8 Q6V1X1 1/20 0.40
KISS1R Q969F8 1/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38

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
SCHEMBL7943423 1.00 ANPEP (0.49) ANPEPDNPEPDPP7RRM1SLC15A1
SCHEMBL7936521 0.94 DPP7 (0.50) ANPEPDNPEPDPP7RRM1SLC15A1
SCHEMBL7943709 0.87 ANPEP (0.61) ANPEPDNPEPDPP7SLC15A1RNPEP
SCHEMBL7941699 0.87 ANPEP (0.61) ANPEPDNPEPDPP7SLC15A1RNPEP
SCHEMBL19474113 0.87 ANPEP (0.61) ANPEPDNPEPDPP7SLC15A1RNPEP
Hydrochloric Acid SCHEMBL8054071 0.85 ANPEP (0.59) ANPEPDNPEPDPP7SLC15A1RNPEP
Hydrochloric Acid SCHEMBL8041160 0.85 ANPEP (0.59) ANPEPDNPEPDPP7SLC15A1RNPEP
SCHEMBL15623812 0.85 ALDH1A2 (0.54) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL11921172 0.83 KMT2A (0.50) ANPEPDNPEPDPP7RRM1KISS1R
SCHEMBL23802344 0.82 DPP7 (0.43) ANPEPDNPEPDPP7RRM1SLC15A1

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 ANPEP 179/4885DNPEP 303/4885DPP7 2207/4885

“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.