SCHEMBL4289598

SCHEMBL4289598

O=C(c1ncn([C@H]2CCCC[C@@H]2N2CCOC2=O)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
ROCK1 Q13464 1/20 0.38
FAAH O00519 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SCD5 Q86SK9 2/20 0.36
DAGLB Q8NCG7 1/20 0.36
DAGLA Q9Y4D2 2/20 0.35
CYP2D6 P10635 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
LTA4H P09960 1/20 0.32
KCNH2 Q12809 1/20 0.32
ABHD6 Q9BV23 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
SCHEMBL4290957 0.85 CA1 (0.42) CA1CA2CA4CA9FAAH
SCHEMBL13705209 0.85 CA1 (0.41) CA1CA2CA4CA9ROCK1
SCHEMBL4287934 0.85 CA1 (0.49) CA1CA2CA4CA9ROCK1
SCHEMBL4293386 0.83 CA1 (0.45) CA1CA2CA4CA9ROCK1
SCHEMBL4752935 0.81 CA1 (0.43) CA1CA2CA4CA9ROCK1
SCHEMBL4289524 0.81 CA1 (0.43) CA1CA2CA4CA9ROCK1
SCHEMBL4284624 0.79 CA1 (0.41) CA1CA2CA4CA9ROCK1
SCHEMBL4293929 0.79 CA1 (0.42) CA1CA2CA4CA9ROCK1
SCHEMBL13705208 0.78 CA1 (0.41) CA1CA2CA4CA9ROCK1
SCHEMBL13705205 0.78 CA1 (0.41) CA1CA2CA4CA9ROCK1

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-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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.