SCHEMBL14815200

SCHEMBL14815200

NC(C(=O)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 4/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SCN9A Q15858 4/20 0.36
▸ CCR2 P41597 3/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KLRK1 P26718 1/20 0.34
▸ MICA Q29983 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL14814932 0.91 LIPE (0.42) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14815197 0.91 LIPE (0.42) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14814552 0.91 LIPE (0.42) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14814731 0.90 LIPE (0.38) LIPELIPGSCN9AHSD11B1SCN10A
SCHEMBL14815056 0.90 LIPE (0.46) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14815166 0.90 LIPE (0.46) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14814951 0.90 LIPE (0.46) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14814808 0.89 LIPE (0.39) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14815058 0.89 LIPE (0.37) LIPELIPGSCN9ACCR2KCNH2
SCHEMBL14815067 0.89 KLRK1 (0.39) LIPELIPGSCN9ACCR2KCNH2

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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 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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