SCHEMBL4294101

SCHEMBL4294101

O=C(O)N1CCN(C(=O)c2ncn(C3CCCCC3(O)C(F)(F)F)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.36
CA2 P00918 12/20 0.36
CA4 P22748 12/20 0.36
CA9 Q16790 12/20 0.36
DAGLA Q9Y4D2 3/20 0.36
ABHD6 Q9BV23 2/20 0.36
TRPA1 O75762 4/20 0.35
SCD5 Q86SK9 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
SCHEMBL13705216 0.91 ABHD6 (0.45) CA1CA2CA4CA9DAGLA
SCHEMBL4291698 0.88 CA1 (0.38) CA1CA2CA4CA9DAGLA
SCHEMBL4285594 0.88 CA1 (0.37) CA1CA2CA4CA9DAGLA
SCHEMBL4282446 0.87 CA1 (0.38) CA1CA2CA4CA9DAGLA
SCHEMBL4751920 0.87 CA1 (0.37) CA1CA2CA4CA9DAGLA
SCHEMBL4296384 0.87 CA1 (0.37) CA1CA2CA4CA9DAGLA
SCHEMBL4282075 0.86 ABHD6 (0.34) CA1CA2CA4CA9DAGLA
SCHEMBL4282134 0.86 CA1 (0.36) CA1CA2CA4CA9DAGLA
SCHEMBL4292967 0.86 CA1 (0.36) CA1CA2CA4CA9DAGLA
SCHEMBL4285357 0.86 CA1 (0.36) CA1CA2CA4CA9DAGLA

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.