SCHEMBL13705176

SCHEMBL13705176

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CCCn1ncc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HTT P42858 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FAAH O00519 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KMO O15229 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13705136 0.95 PARP1 (0.54) PARP1POLBHSD17B10TSHRPDK1
SCHEMBL13705174 0.82 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL31376659 0.82 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705156 0.82 PARP1 (0.53) PARP1PDK1PDK2PDK3PDK4
SCHEMBL31376632 0.81 PARP1 (0.59) PARP1PDK1PDK2PDK3PDK4
SCHEMBL31376657 0.80 PARP1 (0.56) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8121116 0.80 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8230203 0.80 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL12172480 0.80 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL16680548 0.80 PARP1 (0.61) 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.