SCHEMBL14814815

SCHEMBL14814815

O=C(c1cccc(C(F)(F)F)n1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.43
▸ SCN10A Q9Y5Y9 5/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ SCN7A Q01118 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ SCN8A Q9UQD0 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
SCHEMBL15793858 0.95 SCN9A (0.41) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL15794141 0.95 SCN9A (0.41) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL15794374 0.95 SCN9A (0.41) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL15793887 0.95 SCN9A (0.41) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL15799575 0.95 SCN9A (0.41) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL14815328 0.86 KCNK3 (0.42) SCN9AMGLL
SCHEMBL14814865 0.85 SCN9A (0.50) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL14815262 0.85 ABL1 (0.42) SCN9AMGLLKCNH2
SCHEMBL14833209 0.85 ABL1 (0.42) SCN9AMGLLKCNH2
SCHEMBL14815333 0.85 HRH3 (0.40) SCN9A

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-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US claimed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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 SCN9A 298/4885SCN10A 197/4885MGLL 4703/4885

“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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