SCHEMBL387764

SCHEMBL387764

CC(C)(C)COC(=O)N1CCN(c2ccncn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.58
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKT1 P31749 1/20 0.47
SORD Q00796 1/20 0.46
ROCK1 Q13464 1/20 0.43
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM1 Q13255 1/20 0.39
MAP4K4 O95819 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
LSS P48449 1/20 0.39

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
SCHEMBL390463 0.84 GPR119 (0.57) GPR119HPGDSMN1; SMN2NPSR1KDM4E
SCHEMBL6978431 0.83 GPR119 (0.80) GPR119MAP4K4LMNAMAPT
SCHEMBL386627 0.80 SMN1; SMN2 (0.60) GPR119HPGDSMN1; SMN2NPSR1KDM4E
SCHEMBL391564 0.79 SMO (0.43) GPR119HPGDSMN1; SMN2KCNH2MAP4K4
SCHEMBL390651 0.79 NOS1 (0.49) HPGDSMN1; SMN2KCNH2NPSR1KDM4E
SCHEMBL389547 0.79 SMN1; SMN2 (0.56) GPR119HPGDSMN1; SMN2CHRM1KDM4E
SCHEMBL390540 0.78 OPRD1 (0.57) HPGDSMN1; SMN2KCNH2MAP4K4
SCHEMBL391968 0.78 GPR119 (0.53) GPR119HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL390340 0.77 HRH3 (0.54) HPGDSMN1; SMN2KCNH2NPSR1KDM4E
SCHEMBL390619 0.77 HRH3 (0.56) GPR119HPGDSMN1; SMN2KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C GPR119 137/4885HPGD 2246/4885SMN1; SMN2 960/4885

“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.