SCHEMBL13705240

SCHEMBL13705240

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(C3CCCCC3(O)COCCCS(C)(=O)=O)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
PARP1 P09874 1/20 0.35
DPP4 P27487 1/20 0.34
CA1 P00915 11/20 0.33
CA2 P00918 11/20 0.33
CA4 P22748 11/20 0.33
CA9 Q16790 11/20 0.33
HDAC1 Q13547 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HPGDS O60760 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
SCHEMBL13705239 0.97 ABHD6 (0.39) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL4286245 0.93 CA1 (0.35) CA1CA2CA4CA9
SCHEMBL13705227 0.92 ABHD6 (0.40) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL13705244 0.91 ABHD6 (0.39) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL13705247 0.91 ABHD6 (0.40) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL4287250 0.90 CA1 (0.36) CA1CA2CA4CA9
SCHEMBL13705145 0.89 ABHD6 (0.42) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL13705169 0.88 ABHD6 (0.43) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL4286201 0.88 ABHD6 (0.43) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL13705233 0.88 ABHD6 (0.43) ABHD6DAGLANR1H2NR1H3PARP1

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 2 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

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 ABHD6 3736/4885DAGLA 4309/4885NR1H2 1529/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ABHD6 3736/4885DAGLA 4309/4885NR1H2 1529/4885

“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.