SCHEMBL4329059

SCHEMBL4329059

CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.71
PDK2 Q15119 1/20 0.71
PDK3 Q15120 1/20 0.71
PDK4 Q16654 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTR2C P28335 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 1/20 0.53
SPR P35270 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
CYP2C9 P11712 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MAPKAPK3 Q16644 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL952644 0.96 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL951381 0.96 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2584283 0.96 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL18711275 0.92 PDK1 (0.69) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL29300886 0.90 PDK1 (0.70) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL953545 0.90 PDK1 (0.70) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2380922 0.90 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL952361 0.90 PDK1 (0.70) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL8117814 0.90 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL14018842 0.90 PDK1 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
EP-1548010-A1 PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2005-06-29 EP 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-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative DHPS, AQP4, OGFOD1 PDK1 475/4885PDK2 135/4885PDK3 170/4885

“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.