SCHEMBL14814811

SCHEMBL14814811

O=C(C(c1ccc(C(F)(F)F)cc1)N1CCCC1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 5/20 0.37
▸ SCN9A Q15858 7/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 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
SCHEMBL14815208 0.89 LIPE (0.44) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14814731 0.88 LIPE (0.38) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14814623 0.86 LIPE (0.38) LIPESCN9AHRH3HSD11B1PSEN1
SCHEMBL14814672 0.86 LIPE (0.39) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14814654 0.86 EPHX2 (0.38) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14814621 0.86 LIPE (0.39) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14815053 0.86 LIPE (0.39) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14815113 0.85 LIPE (0.36) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14814787 0.85 LIPE (0.36) LIPESCN9AHRH3SCN10ALIPG
SCHEMBL14815274 0.84 LIPE (0.41) LIPESCN9AHRH3SCN10ALIPG

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-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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 LIPE 4720/4885SCN9A 298/4885HRH3 1244/4885

“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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