SCHEMBL390619

SCHEMBL390619

CC(C)(C)COC(=O)N1CCN(c2cc(CO)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
GRM5 P41594 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMO Q99835 1/20 0.41
IDE P14735 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PIK3CA P42336 1/20 0.39
HTT P42858 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
AOC3 Q16853 1/20 0.38

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
SCHEMBL390651 0.86 NOS1 (0.49) SMN1; SMN2HPGDOPRD1KCNH2SMO
SCHEMBL390540 0.85 OPRD1 (0.57) HRH3SMN1; SMN2HPGDOPRD1KCNH2
SCHEMBL390340 0.84 HRH3 (0.54) HRH3GRM5SMN1; SMN2HPGDOPRD1
SCHEMBL388016 0.83 HRH3 (0.57) HRH3SMN1; SMN2HPGDKCNH2KDM4E
SCHEMBL10167993 0.83 HPGD (0.42) HRH3SMN1; SMN2HPGDOPRD1KCNH2
SCHEMBL390338 0.82 HRH3 (0.56) HRH3SMN1; SMN2HPGDOPRD1KCNH2
SCHEMBL14340961 0.82 MAPT (0.49) HRH3SMN1; SMN2HPGDOPRD1KCNH2
SCHEMBL388764 0.82 GRIN2D (0.49) SMN1; SMN2HPGDOPRD1KCNH2SMO
SCHEMBL389756 0.82 HRH3 (0.56) HRH3GRM5SMN1; SMN2HPGDOPRD1
SCHEMBL388707 0.81 MAPT (0.49) SMN1; SMN2HPGD

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 HRH3 661/4885GRM5 6/4885SMN1; 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.