SCHEMBL390540

SCHEMBL390540

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.57
KCNH2 Q12809 4/20 0.57
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMO Q99835 1/20 0.42
IDE P14735 1/20 0.41
MAP4K4 O95819 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
PIK3CA P42336 1/20 0.40
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 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
SCHEMBL390651 0.87 NOS1 (0.49) OPRD1KCNH2HPGDSMN1; SMN2SMO
SCHEMBL389756 0.85 HRH3 (0.56) OPRD1KCNH2HPGDSMN1; SMN2SMO
SCHEMBL390619 0.85 HRH3 (0.56) OPRD1KCNH2HPGDSMN1; SMN2SMO
SCHEMBL390340 0.85 HRH3 (0.54) OPRD1KCNH2HPGDSMN1; SMN2SMO
SCHEMBL30998101 0.84 MAP4K4 (0.56) OPRD1KCNH2MAP4K4
SCHEMBL25634587 0.84 MAP4K4 (0.56) OPRD1KCNH2MAP4K4
SCHEMBL388016 0.84 HRH3 (0.57) KCNH2HPGDSMN1; SMN2HRH3
SCHEMBL10167993 0.84 HPGD (0.42) OPRD1KCNH2HPGDSMN1; SMN2SMO
SCHEMBL14340961 0.83 MAPT (0.49) OPRD1KCNH2HPGDSMN1; SMN2SMO
SCHEMBL388764 0.83 GRIN2D (0.49) OPRD1KCNH2HPGDSMN1; SMN2SMO

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 10 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
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 OPRD1 37/4885KCNH2 143/4885HPGD 2246/4885

“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.