SCHEMBL14815365

SCHEMBL14815365

O=C(c1cc(OC(F)(F)F)ccc1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.41
▸ SCN9A Q15858 3/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ MAPK7 Q13164 2/20 0.36
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL14814943 0.89 LIPG (0.43) MGLLSCN9ASCN10A
SCHEMBL14815105 0.86 HSD11B1 (0.44) MGLLSCN9ASCN10AMAPK7
SCHEMBL14814982 0.85 MGLL (0.41) MGLLSCN9ASCN10AMAPK7
SCHEMBL14815054 0.84 MGLL (0.39) MGLLSCN9ASCN10AMAPK7
SCHEMBL15793832 0.84 LIPG (0.41) MGLLSCN9ASCN10A
SCHEMBL15793861 0.84 LIPG (0.41) MGLLSCN9ASCN10A
SCHEMBL15793308 0.84 LIPG (0.41) MGLLSCN9ASCN10A
SCHEMBL15793580 0.84 LIPG (0.41) MGLLSCN9ASCN10A
SCHEMBL14815084 0.84 SCN9A (0.42) MGLLSCN9ASCN10A
SCHEMBL14814637 0.83 HRH3 (0.45) SCN9ASCN10AMAPK7

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 MGLL 4703/4885SCN9A 298/4885SCN10A 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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