SCHEMBL16768019

SCHEMBL16768019

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
PDK1 Q15118 5/20 0.43
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.35
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16768023 0.85 HRH3 (0.53) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL17014690 0.85 PDK1 (0.58) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL16768128 0.83 HRH3 (0.51) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL16768026 0.82 HRH3 (0.50) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL16770006 0.81 PDK1 (0.46) HRH3PDK1LMNAPOLBALDH1A1
SCHEMBL16767981 0.81 HRH3 (0.49) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL12110179 0.78 HRH3 (0.48) HRH3PDK1CCR2KCNH2P2RX3
SCHEMBL24477442 0.77 HRH3 (0.60) HRH3PDK1CCR2KCNH2
SCHEMBL26723897 0.77 HRH3 (0.51) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL20179866 0.77 HRH3 (0.54) HRH3PDK1CCR2KCNH2NPSR1

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 HRH3 1555/4885PDK1 601/4885CCR2 3894/4885

“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.