SCHEMBL4329419

SCHEMBL4329419

CC1CN(C(=O)OCc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HTR2C P28335 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.51
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CHRM1 P11229 1/20 0.49
HTT P42858 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL30720915 0.89 PDK1 (0.53) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL23867200 0.89 PDK1 (0.53) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL23867198 0.87 PDK1 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL28166666 0.87 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL29849418 0.84 CHRM1 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL4329059 0.84 PDK1 (0.71) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL30524578 0.84 CHRM1 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL29121531 0.84 SMN1; SMN2 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL3322121 0.84 CHRM1 (0.55) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL15055262 0.84 GPR119 (0.50) PDK1PDK2PDK3PDK4CHRM1

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.