SCHEMBL15510992

SCHEMBL15510992

CCC(N)C(=O)NCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42
DPP7 Q9UHL4 3/20 0.40
EPHX1 P07099 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
HPGD P15428 1/20 0.39
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
RRM1 P23921 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC15A1 P46059 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2604879 1.00 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8DPP7
Hydrochloric Acid SCHEMBL4998926 0.98 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8DPP7
SCHEMBL13789959 0.84 SLC7A5 (0.54) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL24979698 0.83 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8DPP7
SCHEMBL14577393 0.83 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8DPP7
Hydrochloric Acid SCHEMBL8624056 0.83 SLC7A5 (0.52) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL24979700 0.83 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8DPP7
Hydrochloric Acid SCHEMBL8624053 0.83 SLC7A5 (0.52) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL14577382 0.83 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8DPP7
SCHEMBL27375300 0.81 CYP2D6 (0.52) CYP2D6CYP2C19MMP1MMP8HPGD

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-20140066488-A1 Inhibitors of Memapsin 2 Cleavage for the Treatment of Alzheimer's Disease PURDUE RESEARCH FOUNDATION (US) 2014-03-06 US disclosed
WO-2014036105-A2 INHIBITORS OF MEMAPSIN 2 CLEAVAGE FOR THE TREATMENT OF ALZHEIMER'S DISEASE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2014-03-06 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-20140066488-A1 Inhibitors of Memapsin 2 Cleavage for the Treatment of Alzheimer's Disease PSEN2, BACE2, PSEN1 CYP2D6 4867/4885CYP2C19 4807/4885MMP1 1740/4885

“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.