SCHEMBL14814933

SCHEMBL14814933

O=C(CCCC(F)(F)F)N1CCN2C[C@H](Oc3cccc(C(F)(F)F)n3)C[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ HCRTR1 O43613 5/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ BRS3 P32247 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ LOX P28300 1/20 0.33

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
SCHEMBL14814945 0.94 NAMPT (0.38) HCRTR2KDM4EALDH1A1TSHRNAMPT
SCHEMBL14814814 0.85 HCRTR2 (0.41) HCRTR2HCRTR1SCN7AKCNH2SCN9A
SCHEMBL14815186 0.81 CYP3A4 (0.42) HCRTR2KDM4EALDH1A1TSHRHCRTR1
SCHEMBL14815018 0.75 CYP3A4 (0.41) HCRTR2HCRTR1IRAK4
SCHEMBL14815401 0.74 MGLL (0.37) HCRTR2NAMPTIRAK4
SCHEMBL14814816 0.74 ACACB (0.41) —
SCHEMBL14815111 0.73 SCN7A (0.37) HCRTR2HCRTR1SCN7AKCNH2SCN9A
SCHEMBL15462508 0.70 HTT (0.45) KDM4EALDH1A1
SCHEMBL14815496 0.70 HTT (0.45) KDM4EALDH1A1
SCHEMBL14814815 0.70 SCN9A (0.43) SCN7AKCNH2SCN9A

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-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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 (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 434/4885KDM4E 3058/4885ALDH1A1 1283/4885

“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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