SCHEMBL13705160

SCHEMBL13705160

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2ccc[n+]([O-])c2)c1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
USP19 O94966 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDE4B Q07343 1/20 0.31
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 1/20 0.31
OPRK1 P41145 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30

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
SCHEMBL4288726 0.93 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4284611 0.89 HCRTR1 (0.37) PARP1HCRTR1HCRTR2HSD11B1PDE4B
SCHEMBL13705164 0.88 HCRTR1 (0.36) PARP1HCRTR1HCRTR2HSD11B1PDE4B
SCHEMBL13705273 0.88 HCRTR1 (0.36) HCRTR1HCRTR2HSD11B1PDE4BJAK2
SCHEMBL13705165 0.87 HCRTR1 (0.35) HCRTR1HCRTR2HSD11B1PDE4BOPRK1
SCHEMBL13705153 0.87 HCRTR1 (0.37) PARP1HCRTR1HCRTR2USP19HSD11B1
SCHEMBL13705268 0.87 HCRTR1 (0.35) PARP1HCRTR1HCRTR2HSD11B1PDE4B
SCHEMBL13705148 0.86 MAPT (0.35) HCRTR1HCRTR2HSD11B1PDE4B
SCHEMBL13705407 0.86 USP19 (0.35) HCRTR1HCRTR2USP19
SCHEMBL13705272 0.86 HCRTR1 (0.34) HCRTR1HCRTR2LCK

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 2 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-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 3523/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.