SCHEMBL391564

SCHEMBL391564

CC(C)(C)COC(=O)N1CCN(c2cc(Cl)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
IDE P14735 1/20 0.39
LRRK2 Q5S007 3/20 0.39
MAP4K4 O95819 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ITGB2 P05107 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
SCHEMBL622957 0.84 GPR119 (0.56) MEN1KMT2ASMN1; SMN2MAPTGPR119
SCHEMBL3530997 0.83 KIT (0.43) SMOMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6981254 0.81 GPR119 (0.53) MEN1KMT2ASMN1; SMN2MAPTGPR119
SCHEMBL388013 0.79 TRPV1 (0.54) MEN1KMT2AHPGDSMN1; SMN2HTT
SCHEMBL387764 0.79 GPR119 (0.58) HPGDSMN1; SMN2MAPTGPR119KCNH2
SCHEMBL391090 0.78 HTR3E (0.51) SMOMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL390651 0.78 NOS1 (0.49) SMOMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL389547 0.78 SMN1; SMN2 (0.56) SMOHPGDSMN1; SMN2RAB9AHTT
SCHEMBL14276922 0.77 SMO (0.50) SMOMEN1KMT2ALRRK2MAP4K4
SCHEMBL390540 0.77 OPRD1 (0.57) SMOHPGDSMN1; SMN2HTTHTR1A

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 SMO 2042/4885MEN1 4558/4885KMT2A 1975/4885

“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.