SCHEMBL13705267

SCHEMBL13705267

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOc2ccc(C(F)(F)F)cn2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.35
HCRTR2 O43614 6/20 0.34
GABRA5 P31644 1/20 0.34
LIPE Q05469 1/20 0.34
SCN9A Q15858 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
HPGDS O60760 1/20 0.33
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
CNR2 P34972 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
SCHEMBL4296862 0.94 HCRTR1 (0.35) HCRTR1HCRTR2LIPESCN9ACNR2
SCHEMBL13705264 0.92 SYK (0.33) HCRTR1HCRTR2GPR119HPGDSABHD6
SCHEMBL13705262 0.90 HPGDS (0.33) HCRTR1HCRTR2GABRA5GPR119HPGDS
SCHEMBL13705266 0.90 GPR119 (0.35) HCRTR1HCRTR2GABRA5GPR119HPGDS
SCHEMBL13705263 0.89 IDH1 (0.36) HCRTR1HCRTR2HPGDSABHD6DAGLA
SCHEMBL13705256 0.88 EGFR (0.35) GPR119HPGDSABHD6DAGLA
SCHEMBL13705261 0.88 HPGDS (0.34) HCRTR1HCRTR2HPGDSABHD6DAGLA
SCHEMBL13705265 0.88 SSTR4 (0.33) ABHD6DAGLA
SCHEMBL13705254 0.87 HPGDS (0.36) HCRTR1HCRTR2GPR119HPGDS
SCHEMBL13705306 0.86 HPGDS (0.35) HCRTR1HCRTR2HPGDS

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 3136/4885GABRA5 1948/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885GABRA5 1948/4885

“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.