SCHEMBL13705153

SCHEMBL13705153

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2ccccc2F)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
PDE4B Q07343 1/20 0.35
HSD11B1 P28845 1/20 0.34
PARP1 P09874 1/20 0.33
OPRK1 P41145 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
LCK P06239 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPP2 Q13822 1/20 0.31
ATXN2 Q99700 1/20 0.31

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
SCHEMBL4297031 0.92 HCRTR1 (0.39) HCRTR1HCRTR2PDE4B
SCHEMBL13705166 0.92 HCRTR1 (0.34) HCRTR1HCRTR2PDE4BHSD11B1PARP1
SCHEMBL4284611 0.90 HCRTR1 (0.37) HCRTR1HCRTR2PDE4BHSD11B1PARP1
SCHEMBL13705164 0.89 HCRTR1 (0.36) HCRTR1HCRTR2PDE4BHSD11B1PARP1
SCHEMBL13705273 0.88 HCRTR1 (0.36) HCRTR1HCRTR2PDE4BHSD11B1JAK2
SCHEMBL13705154 0.88 PDE4B (0.37) HCRTR1HCRTR2PDE4BHSD11B1OPRK1
SCHEMBL13705268 0.87 HCRTR1 (0.35) HCRTR1HCRTR2PDE4BHSD11B1PARP1
SCHEMBL13705302 0.87 PDE4B (0.36) PDE4BHSD11B1PARP1OPRK1JAK2
SCHEMBL13705160 0.87 PARP1 (0.32) HCRTR1HCRTR2PDE4BHSD11B1PARP1
SCHEMBL13705148 0.87 MAPT (0.35) HCRTR1HCRTR2PDE4BHSD11B1ADRA1D

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 HCRTR1 3147/4885HCRTR2 3136/4885PDE4B 242/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885PDE4B 242/4885

“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.