SCHEMBL16769863

SCHEMBL16769863

CC(C)[C@H](N)C(=O)OC[C@@H]1CN(C)CCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
NPSR1 Q6W5P4 1/20 0.34
ACKR3 P25106 2/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 1/20 0.32
P2RX3 P56373 5/20 0.32
P2RX2 Q9UBL9 5/20 0.32
CYP1A2 P05177 1/20 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
SCHEMBL16770005 0.85 PDK1 (0.46) PDK1IRAK4HRH3NPSR1ACKR3
SCHEMBL16767981 0.85 HRH3 (0.49) PDK1IRAK4HRH3NPSR1ALDH1A1
SCHEMBL29233712 0.81 PDK1 (0.47) PDK1IRAK4HRH3NPSR1ACKR3
SCHEMBL17020104 0.79 PDK1 (0.62) PDK1IRAK4HRH3ACKR3ALDH1A1
SCHEMBL19582110 0.77 LMNA (0.54) NPSR1ALDH1A1CYP1A2
SCHEMBL19581875 0.77 LMNA (0.54) NPSR1ALDH1A1CYP1A2
SCHEMBL19582108 0.77 LMNA (0.54) NPSR1ALDH1A1CYP1A2
SCHEMBL16770006 0.77 PDK1 (0.46) PDK1IRAK4HRH3ACKR3ALDH1A1
SCHEMBL19581878 0.77 LMNA (0.54) NPSR1ALDH1A1CYP1A2
SCHEMBL19582119 0.75 ALDH1A1 (0.41) PDK1NPSR1ALDH1A1

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-9340538-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-05-17 US disclosed
US-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-04 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-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 PDK1 601/4885IRAK4 3644/4885HRH3 1555/4885

“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.