SCHEMBL14814672

SCHEMBL14814672

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 6/20 0.39
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ SCN9A Q15858 4/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ TEAD1 P28347 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ ACACB O00763 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
SCHEMBL14815053 1.00 LIPE (0.39) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14814621 1.00 LIPE (0.39) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14814623 0.92 LIPE (0.38) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14814654 0.92 EPHX2 (0.38) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815098 0.92 LIPE (0.37) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815113 0.91 LIPE (0.36) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14814787 0.91 LIPE (0.36) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815109 0.91 KLRK1 (0.39) LIPESCN9ALIPG
SCHEMBL14815067 0.91 KLRK1 (0.39) LIPESCN9ALIPG
SCHEMBL14814674 0.91 KLRK1 (0.39) LIPESCN9ALIPG

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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 4720/4885PSEN1 880/4885PSEN2 1018/4885

“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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