SCHEMBL13705136

SCHEMBL13705136

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CCn1ncc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
POLB P06746 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KMO O15229 1/20 0.39
OPRK1 P41145 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
PIK3CD O00329 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HTT P42858 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL13705176 0.95 PARP1 (0.53) PARP1POLBHSD17B10TSHRPDK1
SCHEMBL13705106 0.82 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8121116 0.82 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL12172480 0.82 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8230203 0.82 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL16680548 0.82 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705140 0.81 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705114 0.81 PARP1 (0.54) PARP1TSHRPDK1PDK2PDK3
SCHEMBL13705135 0.81 PARP1 (0.54) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705127 0.81 PARP1 (0.55) 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 4 patents. 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
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885POLB 3799/4885HSD17B10 1017/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885POLB 3799/4885HSD17B10 1017/4885

“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.