SCHEMBL4295511

SCHEMBL4295511

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CC(=O)O.O=C(C[C@@H]1CN(Cc2ccccc2)CCN1)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
GAA P10253 1/20 0.44
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 2/20 0.38
MAOB P27338 2/20 0.38
HDAC1 Q13547 1/20 0.38
PARP1 P09874 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
ACKR3 P25106 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL4291170 0.84 NR1H2 (0.48) NR1H2NR1H3HDAC1PARP1
SCHEMBL26915001 0.84 NR1H2 (0.48) NR1H2NR1H3HDAC1PARP1
SCHEMBL8124283 0.82 PKM (0.61) PKMGAALTA4HMEN1KMT2A
SCHEMBL17152827 0.77 NR1H2 (0.46) NR1H2NR1H3MEN1KMT2AHDAC1
SCHEMBL4710647 0.77 NR1H2 (0.47) NR1H2NR1H3HDAC1PARP1
SCHEMBL4711771 0.77 NR1H2 (0.47) NR1H2NR1H3HDAC1PARP1
SCHEMBL6099695 0.77 NR1H2 (0.58) NR1H2NR1H3HDAC1PARP1
SCHEMBL8448438 0.77 NR1H2 (0.58) NR1H2NR1H3HDAC1PARP1
SCHEMBL13340723 0.77 NR1H2 (0.45) NR1H2NR1H3BCHEMAOBHDAC1
SCHEMBL17376945 0.76 NR1H2 (0.48) NR1H2NR1H3HDAC1PARP1

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 PKM 847/4885GAA 1381/4885NR1H2 1529/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PKM 847/4885GAA 1381/4885NR1H2 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.