SCHEMBL14815194

SCHEMBL14815194

FC(F)(F)c1cccc(O[C@H]2CC[C@H]3CCNCN32)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.36
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ HTR2C P28335 3/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ HCRTR2 O43614 4/20 0.32
▸ HCRTR1 O43613 3/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ PIM1 P11309 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
SCHEMBL14814728 0.77 HCRTR2 (0.39) IRAK4SCN7AKCNH2SCN9AHCRTR2
SCHEMBL27157766 0.75 SYK (0.47) SCN7AKCNH2SCN9AAXLMERTK
SCHEMBL14815099 0.74 EPHX2 (0.39) —
Hydrochloric Acid SCHEMBL27157968 0.74 SYK (0.46) SCN7AKCNH2SCN9AAXLMERTK
SCHEMBL14815443 0.74 HCRTR2 (0.40) IRAK4HCRTR2HCRTR1
SCHEMBL14815401 0.73 MGLL (0.37) IRAK4HCRTR2MGLL
SCHEMBL21810806 0.69 HTR2C (0.50) SCN7AKCNH2SCN9AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL21810793 0.68 HTR2C (0.49) SCN7AKCNH2SCN9AAXLMERTK
SCHEMBL25408274 0.68 FFAR4 (0.44) AXLMERTKHCRTR2HCRTR1ALOX5AP
SCHEMBL14815246 0.67 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D IRAK4 4073/4885SCN7A 149/4885KCNH2 16/4885

“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.

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