SCHEMBL14815113

SCHEMBL14815113

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 4/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SCN9A Q15858 4/20 0.36
▸ KLRK1 P26718 1/20 0.36
▸ MICA Q29983 1/20 0.36
▸ MTTP P55157 4/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL14814787 1.00 LIPE (0.36) LIPELIPGSCN9AKLRK1MICA
SCHEMBL14815094 0.93 LIPE (0.36) LIPELIPGSCN9AKLRK1MICA
SCHEMBL14814672 0.91 LIPE (0.39) LIPELIPGSCN9ASCN10APSEN1
SCHEMBL14815053 0.91 LIPE (0.39) LIPELIPGSCN9ASCN10APSEN1
SCHEMBL14814621 0.91 LIPE (0.39) LIPELIPGSCN9ASCN10APSEN1
SCHEMBL14814654 0.91 EPHX2 (0.38) LIPELIPGSCN9AKLRK1MICA
SCHEMBL14815170 0.91 KLRK1 (0.42) LIPELIPGSCN9AKLRK1MICA
SCHEMBL14814623 0.90 LIPE (0.38) LIPESCN9APSEN1PSEN2APH1B
SCHEMBL14815098 0.89 LIPE (0.37) LIPELIPGSCN9ASCN10APSEN1
SCHEMBL14815208 0.88 LIPE (0.44) LIPELIPGSCN9ASCN10APSEN1

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 2 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 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 LIPE 4720/4885LIPG 4603/4885SCN9A 298/4885

“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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