SCHEMBL13705154

SCHEMBL13705154

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2ccc(C#N)cc2OC)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.33
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 2/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
HSD11B1 P28845 1/20 0.31
OPRK1 P41145 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
SCHEMBL4282007 0.93 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL13705153 0.88 HCRTR1 (0.37) PDE4BPTGDR2ADRA1DADRA1AADRA1B
SCHEMBL4284611 0.86 HCRTR1 (0.37) PDE4BBCL9CTNNB1MAPK1HCRTR1
SCHEMBL13705166 0.86 HCRTR1 (0.34) PDE4BTP53MEN1KMT2AMAPK1
SCHEMBL13705164 0.85 HCRTR1 (0.36) PDE4BKMT2AMAPK1HCRTR1HCRTR2
SCHEMBL13705273 0.85 HCRTR1 (0.36) PDE4BBCL9CTNNB1MEN1KMT2A
SCHEMBL13705165 0.85 HCRTR1 (0.35) PDE4BBCL9CTNNB1MAPK1HCRTR1
SCHEMBL13705268 0.84 HCRTR1 (0.35) PDE4BBCL9CTNNB1HCRTR1HCRTR2
SCHEMBL13705302 0.84 PDE4B (0.36) PDE4BADRA1DADRA1AADRA1BTP53
SCHEMBL4286681 0.84 HSD11B1 (0.35) HCRTR1HCRTR2HSD11B1

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 242/4885PTGDR2 1872/4885ADRA1D 1377/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDE4B 242/4885PTGDR2 1872/4885ADRA1D 1377/4885

“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.