SCHEMBL13705303

SCHEMBL13705303

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCNc2cccc(OC)c2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
PDE4B Q07343 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP9 P14780 2/20 0.32
GRIN2B Q13224 2/20 0.32
TP53 P04637 1/20 0.32
MMP13 P45452 1/20 0.32
CCR3 P51677 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4286204 0.93 CHKA (0.33) ALDH1A1GRIN2BCCR3OPRK1HTR2A
SCHEMBL13705298 0.93 PDE4B (0.32) PDE4BGRIN2BMAPK1HSD11B1OPRK1
SCHEMBL13705302 0.90 PDE4B (0.36) PDE4BALDH1A1GRIN2BTP53MAPK1
SCHEMBL13705305 0.87 MAPT (0.35) PDE4BALDH1A1
SCHEMBL13705304 0.87 HCRTR1 (0.33) PDE4BALDH1A1
SCHEMBL4296784 0.86 HCRTR1 (0.31)
SCHEMBL13705165 0.86 HCRTR1 (0.35) PDE4BBCL9CTNNB1MAPK1HSD11B1
SCHEMBL4286333 0.86 USP19 (0.37) CHKA
SCHEMBL13705153 0.86 HCRTR1 (0.37) PDE4BMAPK1HSD11B1OPRK1PARP1
SCHEMBL4290997 0.85 HTR7 (0.34) OPRD1

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 NPSR1 2099/4885PDE4B 242/4885BCL9 4342/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NPSR1 2099/4885PDE4B 242/4885BCL9 4342/4885

“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.