SCHEMBL14815208

SCHEMBL14815208

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 5/20 0.44
▸ SCN9A Q15858 5/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ HSD11B1 P28845 3/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ DPP8 Q6V1X1 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
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL14814731 0.91 LIPE (0.38) LIPESCN9ADPP4DPP7SCN10A
SCHEMBL14814552 0.90 LIPE (0.42) LIPESCN9ASCN10ALIPG
SCHEMBL14815197 0.90 LIPE (0.42) LIPESCN9ASCN10ALIPG
SCHEMBL14814932 0.90 LIPE (0.42) LIPESCN9ASCN10ALIPG
SCHEMBL14814621 0.89 LIPE (0.39) LIPESCN9ADPP4DPP7SCN10A
SCHEMBL14814672 0.89 LIPE (0.39) LIPESCN9ADPP4DPP7SCN10A
SCHEMBL14814811 0.89 LIPE (0.37) LIPESCN9ASCN10ALIPGHSD11B1
SCHEMBL14815053 0.89 LIPE (0.39) LIPESCN9ADPP4DPP7SCN10A
SCHEMBL14814654 0.89 EPHX2 (0.38) LIPESCN9ADPP4DPP7SCN10A
SCHEMBL14815113 0.88 LIPE (0.36) LIPESCN9ADPP4DPP7SCN10A

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 298/4885DPP4 578/4885

“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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