SCHEMBL4287706

SCHEMBL4287706

COC[C@@]1(O)CCCC[C@@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c1-c1cccc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
CA1 P00915 10/20 0.33
CA2 P00918 10/20 0.33
CA4 P22748 10/20 0.33
CA9 Q16790 10/20 0.33
SCD5 Q86SK9 1/20 0.32
USP19 O94966 1/20 0.32
ABHD6 Q9BV23 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
BCL2A1 Q16548 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL4287711 1.00 HCRTR1 (0.33) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4287715 1.00 HCRTR1 (0.33) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4284891 0.93 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL13705253 0.93 ABHD6 (0.40) ABHD6DAGLA
SCHEMBL4281650 0.88 USP19 (0.39) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4293872 0.88 USP19 (0.39) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4291453 0.87 CA1 (0.34) CA1CA2CA4CA9SCD5
SCHEMBL4291271 0.87 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4292763 0.86 CA1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4281262 0.86 SCD5 (0.35) 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 HCRTR1 3147/4885HCRTR2 3136/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CA1 2275/4885

“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.