SCHEMBL4288835

SCHEMBL4288835

O=C(O)N1CCN[C@H](COc2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.43
SCN10A Q9Y5Y9 3/20 0.43
HCRTR2 O43614 4/20 0.42
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 3/20 0.39
HTR1A P08908 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
MGLL Q99685 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
SCHEMBL13705108 0.87 IDH1 (0.46) SCN9ASCN10AHCRTR2SCN7AKCNH2
SCHEMBL4287221 0.80 REN (0.42) HCRTR2SCN7AKCNH2
SCHEMBL27204297 0.79 HCRTR2 (0.41) SCN9AHCRTR2SCN7AKCNH2HCRTR1
SCHEMBL27158488 0.79 HCRTR2 (0.41) SCN9AHCRTR2SCN7AKCNH2HCRTR1
SCHEMBL4283292 0.79 SCN9A (0.44) SCN9ASCN10AHCRTR2SCN7AKCNH2
SCHEMBL3493424 0.77 LTA4H (0.52) SCN9ASCN10AKCNH2
SCHEMBL4287415 0.76 REN (0.39)
SCHEMBL4287596 0.76 CA1 (0.41) HCRTR2KCNH2HCRTR1HTR1ALOXL2
SCHEMBL4288512 0.75 LTA4H (0.52)
SCHEMBL4979175 0.75 LTA4H (0.52)

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 2828/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCN9A 1866/4885SCN10A 2828/4885HCRTR2 3136/4885

“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.