SCHEMBL13705168

SCHEMBL13705168

CCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1-c1ccccc1

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 0.40
DPP4 P27487 1/20 0.38
USP30 Q70CQ3 4/20 0.38
HDAC1 Q13547 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL4285199 0.92 CA1 (0.36) MEN1KMT2A
SCHEMBL4289613 0.92 CA1 (0.36) MEN1KMT2A
SCHEMBL4285202 0.92 CA1 (0.36) MEN1KMT2A
SCHEMBL4285206 0.92 CA1 (0.36) MEN1KMT2A
SCHEMBL13705201 0.91 ABHD6 (0.43) ABHD6DAGLAPARP1DPP4USP30
SCHEMBL13705203 0.90 ABHD6 (0.42) ABHD6DAGLAPARP1DPP4USP30
SCHEMBL13705204 0.90 ABHD6 (0.42) ABHD6DAGLAPARP1DPP4USP30
SCHEMBL13705199 0.88 ABHD6 (0.43) ABHD6DAGLAPARP1DPP4USP30
SCHEMBL13705205 0.87 CA1 (0.41) DPP4USP30
SCHEMBL13705170 0.86 ABHD6 (0.46) ABHD6DAGLAPARP1DPP4USP30

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-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 4309/4885PARP1 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.