SCHEMBL13705104

SCHEMBL13705104

CC(C)(C)OC(=O)N1CCN[C@H](COc2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.43
SCN10A Q9Y5Y9 3/20 0.43
SYK P43405 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
HCRTR2 O43614 1/20 0.39
TACR1 P25103 2/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL4283292 0.87 SCN9A (0.44) SCN9ASCN10ASCN7AKCNH2HCRTR2
SCHEMBL8235660 0.83 LTA4H (0.47) SCN9ASCN10AGPR119
SCHEMBL13705101 0.83 GPR119 (0.47) GPR119MAPK1
SCHEMBL29913023 0.81 JAK3 (0.41) SYKGPR119HCRTR2TACR1
SCHEMBL27158490 0.81 GPR119 (0.51) SYKGPR119
SCHEMBL13705108 0.81 IDH1 (0.46) SCN9ASCN10AGPR119SCN7AKCNH2
SCHEMBL30328570 0.79 GPR119 (0.48) SYKGPR119HCRTR2TACR1
SCHEMBL15645408 0.77 LTA4H (0.44) GPR119
SCHEMBL15645409 0.77 LTA4H (0.44) GPR119
SCHEMBL13705093 0.77 SCN9A (0.38) SCN9ASCN10AGPR119MAPK1

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 4 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-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
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 SCN9A 1866/4885SCN10A 2828/4885SYK 567/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCN9A 1866/4885SCN10A 2828/4885SYK 567/4885

“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.