SCHEMBL4286328

SCHEMBL4286328

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
CA1 P00915 12/20 0.35
CA2 P00918 12/20 0.35
CA4 P22748 12/20 0.35
CA9 Q16790 12/20 0.35
SCD5 Q86SK9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13705210 0.92 ABHD6 (0.41) SIGMAR1
SCHEMBL4293417 0.89 CA1 (0.33) SIGMAR1CA1CA2CA4CA9
SCHEMBL4285199 0.84 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4289613 0.84 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4285206 0.84 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4285202 0.84 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4282019 0.84 BCHE (0.40) CA1CA2CA4CA9SCD5
SCHEMBL4294536 0.84 CA1 (0.37) CA1CA2CA4CA9SCD5
SCHEMBL4291152 0.83 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL4283019 0.83 CA1 (0.41) CA1CA2CA4CA9SCD5

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 2 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

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 SIGMAR1 3163/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885CA1 2275/4885CA2 218/4885

“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.