SCHEMBL14815084

SCHEMBL14815084

O=C(c1ccc(C(F)(F)F)cc1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ SCN10A Q9Y5Y9 3/20 0.40
▸ ALOX5AP P20292 2/20 0.40
▸ FEN1 P39748 2/20 0.40
▸ MGLL Q99685 4/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ SCN7A Q01118 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SCN5A Q14524 1/20 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
SCHEMBL15793867 0.95 SCN9A (0.40) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL15794309 0.95 SCN9A (0.40) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL15794339 0.95 SCN9A (0.40) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL15793931 0.95 SCN9A (0.40) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL14814943 0.93 LIPG (0.43) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL14815093 0.89 LIPG (0.43) SCN9ALIPGSCN10AMGLL
SCHEMBL15793861 0.89 LIPG (0.41) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL15793308 0.89 LIPG (0.41) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL15793832 0.89 LIPG (0.41) SCN9ALIPGSCN10AALOX5APFEN1
SCHEMBL15793580 0.89 LIPG (0.41) SCN9ALIPGSCN10AALOX5APFEN1

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 298/4885LIPG 4603/4885SCN10A 197/4885

“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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