SCHEMBL4284891

SCHEMBL4284891

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.36
CA2 P00918 15/20 0.36
CA4 P22748 15/20 0.36
CA9 Q16790 15/20 0.36
SCD5 Q86SK9 1/20 0.34
DAGLA Q9Y4D2 3/20 0.33
ABHD6 Q9BV23 2/20 0.33
ROCK2 O75116 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
SCHEMBL4291453 0.94 CA1 (0.34) CA1CA2CA4CA9SCD5
SCHEMBL4291271 0.93 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4287711 0.93 HCRTR1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4287715 0.93 HCRTR1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4287706 0.93 HCRTR1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4292763 0.93 CA1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4290244 0.93 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4285833 0.93 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4286751 0.93 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL13705145 0.92 ABHD6 (0.42) 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 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 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.