SCHEMBL390463

SCHEMBL390463

CC(C)(C)COC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.57
ALDH1A1 P00352 9/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 9/20 0.54
HSD17B10 Q99714 7/20 0.54
HPGD P15428 4/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
RECQL P46063 1/20 0.54
TSHR P16473 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL9289622 0.87 KDM4E (0.64) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL391968 0.84 GPR119 (0.53) GPR119ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL387764 0.84 GPR119 (0.58) GPR119SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL1459701 0.83 GPR119 (0.79) GPR119ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL30516861 0.83 GPR119 (0.79) GPR119ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL390651 0.82 NOS1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL390540 0.81 OPRD1 (0.57) SMN1; SMN2HPGD
SCHEMBL387707 0.81 HTR3E (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL386627 0.81 SMN1; SMN2 (0.60) GPR119ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL2755874 0.81 HSD17B10 (0.78) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD

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 GPR119 137/4885ALDH1A1 819/4885SMN1; 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.