SCHEMBL389868

SCHEMBL389868

CC(C)(C)COC(=O)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HTT P42858 3/20 0.60
NAAA Q02083 2/20 0.57
TSHR P16473 2/20 0.54
HCAR2 Q8TDS4 1/20 0.51
SORD Q00796 2/20 0.47
PHGDH O43175 1/20 0.47
MAPT P10636 3/20 0.46
GPR119 Q8TDV5 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4058660 0.85 GAA (0.64) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL3906939 0.83 KMT2A (0.61) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL3264562 0.81 GAA (0.59) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL14340902 0.81 KMT2A (0.68) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL14071936 0.79 GAA (0.63) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL5318590 0.78 GAA (0.67) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL12162756 0.76 KMT2A (0.72) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL880471 0.75 GAA (0.64) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL19630535 0.73 NAAA (1.00) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL390463 0.72 GPR119 (0.57) LMNASMN1; SMN2TSHRGPR119ALDH1A1

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 9 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-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
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

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 GAA 4512/4885KMT2A 1975/4885LMNA 4724/4885

“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.