SCHEMBL14814728

SCHEMBL14814728

O=C(O)N1CC[C@@H]2CC[C@H](Oc3cccc(C(F)(F)F)n3)N2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ LOXL2 Q9Y4K0 5/20 0.37
▸ SCN7A Q01118 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HCRTR1 O43613 4/20 0.35
▸ BTK Q06187 5/20 0.34
▸ SRC P12931 1/20 0.34
▸ LOX P28300 3/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL14815099 0.86 EPHX2 (0.39) —
SCHEMBL14815401 0.85 MGLL (0.37) HCRTR2MGLLIRAK4
SCHEMBL14815323 0.77 HCRTR2 (0.43) HCRTR2KCNH2HRH3HCRTR1BTK
SCHEMBL14815194 0.77 IRAK4 (0.36) HCRTR2MGLLSCN7AKCNH2SCN9A
SCHEMBL14814848 0.73 HCRTR1 (0.38) KCNH2HRH3HCRTR1
SCHEMBL14815149 0.70 GPR119 (0.32) —
SCHEMBL14814814 0.70 HCRTR2 (0.41) HCRTR2MGLLLOXL2SCN7AKCNH2
SCHEMBL14815290 0.69 HCRTR1 (0.42) HCRTR2HCRTR1
SCHEMBL14814764 0.69 MGLL (0.51) MGLL
SCHEMBL14815517 0.69 MGLL (0.51) MGLL

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 HCRTR2 434/4885MGLL 4703/4885LOXL2 2415/4885

“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.

Send feedback