SCHEMBL13705221

SCHEMBL13705221

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn([C@H]3CCCCC3(O)CCO)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
PARP1 P09874 1/20 0.38
DPP4 P27487 1/20 0.36
HDAC1 Q13547 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
HPGDS O60760 2/20 0.34
USP30 Q70CQ3 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PRMT5 O14744 2/20 0.33

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
SCHEMBL13705234 0.94 ABHD6 (0.42) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL4286201 0.94 ABHD6 (0.43) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705228 0.94 ABHD6 (0.41) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705214 0.94 ABHD6 (0.41) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705238 0.94 ABHD6 (0.41) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL8121413 0.94 ABHD6 (0.41) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705237 0.94 ABHD6 (0.41) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705169 0.93 ABHD6 (0.43) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705233 0.93 ABHD6 (0.43) ABHD6DAGLAPARP1DPP4HDAC1
SCHEMBL13705145 0.92 ABHD6 (0.42) ABHD6DAGLAPARP1DPP4HDAC1

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 ABHD6 3736/4885DAGLA 4309/4885PARP1 3523/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ABHD6 3736/4885DAGLA 4309/4885PARP1 3523/4885

“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.