SCHEMBL4285115

SCHEMBL4285115

O=C(O)N1CCN[C@H](CCCn2cc3ccccc3n2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
REN P00797 3/20 0.34
LCK P06239 1/20 0.34
MCHR1 Q99705 2/20 0.33
PARP1 P09874 2/20 0.33
ADRB1 P08588 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CXCR4 P61073 3/20 0.32
KDM5A P29375 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL4753396 0.94 CA1 (0.36) CA1CA2CA4CA9REN
SCHEMBL4286425 0.94 CA1 (0.36) CA1CA2CA4CA9REN
SCHEMBL13705147 0.86 GRIN2B (0.44) PARP1CXCR4
SCHEMBL13705142 0.80 GRIN2B (0.43) CA1CA2CA4CA9LCK
SCHEMBL4290291 0.80 MCHR1 (0.34) MCHR1IRAK4
SCHEMBL4294395 0.77 KMO (0.48) REN
SCHEMBL4284114 0.75 MCHR1 (0.35) CA1CA2CA4CA9MCHR1
SCHEMBL4290785 0.72 PARP1 (0.45) CA1CA2CA4CA9REN
SCHEMBL4287498 0.72 EGLN3 (0.50)
SCHEMBL4282685 0.72 PDE10A (0.40) CA1CA2CA4CA9PARP1

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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.