SCHEMBL13705333

SCHEMBL13705333

COCCN1C(=O)CCc2cc(OCC[C@@H]3CN(C(=O)OCc4ccccc4)CCN3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
CXCR4 P61073 1/20 0.39
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SRD5A1 P18405 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL13705332 0.96 CHRM1 (0.44) CHRM1CXCR4
SCHEMBL4283491 0.88 CHRM1 (0.40) CHRM1
SCHEMBL13705319 0.87 CHRM1 (0.43) CHRM1SRD5A1MMP1MMP3MMP7
SCHEMBL4289994 0.84 CHRM1 (0.42) CHRM1
SCHEMBL13705318 0.83 CHRM1 (0.46) CHRM1
SCHEMBL8116863 0.82 PARP1 (0.48) CHRM1MMP1MMP3MMP7MMP9
SCHEMBL13705339 0.81 CXCR4 (0.41) CXCR4MMP1MMP3MMP7MMP9
SCHEMBL13705338 0.81 CXCR4 (0.42) CXCR4MMP1MMP3MMP7MMP9
SCHEMBL8113714 0.79 PDE4B (0.43) CXCR4SCN5ASCN9AMMP1MMP3
SCHEMBL8125847 0.79 PDE4B (0.49) CXCR4SCN5ASCN9AMMP1MMP3

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 CHRM1 3125/4885CXCR4 3648/4885SCN5A 970/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRM1 3125/4885CXCR4 3648/4885SCN5A 970/4885

“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.