SCHEMBL13705199

SCHEMBL13705199

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn([C@H]3CCCC[C@H]3NCC3CC3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
PARP1 P09874 1/20 0.39
ACKR3 P25106 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
DPP4 P27487 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HTR6 P50406 4/20 0.37
BCHE P06276 2/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PRMT5 O14744 2/20 0.36
STS P08842 1/20 0.35
HPGDS O60760 1/20 0.35
TYK2 P29597 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
SCHEMBL4286372 0.90 CA1 (0.37)
SCHEMBL13705201 0.89 ABHD6 (0.43) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705170 0.88 ABHD6 (0.46) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705172 0.88 ABHD6 (0.46) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705183 0.88 ABHD6 (0.46) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705161 0.88 ABHD6 (0.46) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705202 0.88 ABHD6 (0.42) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705168 0.88 ABHD6 (0.42) ABHD6DAGLAPARP1JAK2JAK1
SCHEMBL13705204 0.88 ABHD6 (0.42) ABHD6DAGLAPARP1ACKR3JAK2
SCHEMBL13705203 0.88 ABHD6 (0.42) ABHD6DAGLAPARP1ACKR3JAK2

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.