SCHEMBL13705308

SCHEMBL13705308

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCN(C(C)=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
OPRK1 P41145 1/20 0.33
ACHE P22303 4/20 0.33
PARP1 P09874 1/20 0.33
HSD11B1 P28845 1/20 0.32
MAPK1 P28482 1/20 0.31
ENPP2 Q13822 2/20 0.31
ATXN2 Q99700 1/20 0.31
USP19 O94966 1/20 0.31
JAK2 O60674 3/20 0.30
JAK1 P23458 3/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30
HTT P42858 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
HRH2 P25021 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
SCHEMBL13705309 0.94 OPRK1 (0.34) PDE4BOPRK1ACHEPARP1HSD11B1
SCHEMBL4282056 0.92 ACHE (0.32) ACHEUSP19
SCHEMBL4293024 0.87 ACHE (0.33) ACHEUSP19HTT
SCHEMBL13705153 0.86 HCRTR1 (0.37) PDE4BOPRK1PARP1HSD11B1MAPK1
SCHEMBL4284611 0.86 HCRTR1 (0.37) PDE4BOPRK1PARP1HSD11B1MAPK1
SCHEMBL4287885 0.85 USP19 (0.37) ACHEUSP19
SCHEMBL13705164 0.85 HCRTR1 (0.36) PDE4BOPRK1PARP1HSD11B1MAPK1
SCHEMBL4289495 0.84 USP19 (0.31) USP19
SCHEMBL13705268 0.84 HCRTR1 (0.35) PDE4BOPRK1PARP1HSD11B1ENPP2
SCHEMBL13705302 0.84 PDE4B (0.36) PDE4BOPRK1PARP1HSD11B1MAPK1

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 3 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

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 PDE4B 242/4885OPRK1 2640/4885ACHE 698/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDE4B 242/4885OPRK1 2640/4885ACHE 698/4885

“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.