SCHEMBL4297276

SCHEMBL4297276

CCOC(=O)c1cnn(CC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
ABHD6 Q9BV23 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
OPRK1 P41145 1/20 0.37
HDAC1 Q13547 1/20 0.37
P2RX7 Q99572 2/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13705106 0.89 PARP1 (0.57) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL13705132 0.86 PARP1 (0.51) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL13705126 0.84 PARP1 (0.51) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL13705122 0.82 PARP1 (0.51) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL13705138 0.81 PARP1 (0.51) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL13705137 0.81 PARP1 (0.51) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL8121116 0.81 PARP1 (0.61) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL4287841 0.81 PARP1 (0.51) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL13705135 0.80 PARP1 (0.54) PARP1ABHD6DAGLAPDK1PDK2
SCHEMBL31376622 0.80 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885ABHD6 3736/4885DAGLA 4309/4885

“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.