SCHEMBL14814882

SCHEMBL14814882

O=C(c1c(F)cccc1C(F)(F)F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.42
▸ SCN9A Q15858 4/20 0.38
▸ HCRTR2 O43614 7/20 0.37
▸ HCRTR1 O43613 7/20 0.37
▸ PDE10A Q9Y233 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 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
SCHEMBL14814809 0.88 MGLL (0.48) MGLL
SCHEMBL14814656 0.87 MGLL (0.54) MGLLHCRTR2HCRTR1
SCHEMBL14815234 0.85 P2RX7 (0.41) MGLLSCN9A
SCHEMBL14814942 0.84 LIPE (0.43) MGLL
SCHEMBL15793298 0.84 MGLL (0.43) MGLLSCN9AHCRTR2
SCHEMBL15793648 0.84 MGLL (0.43) MGLLSCN9AHCRTR2
SCHEMBL15793961 0.84 MGLL (0.43) MGLLSCN9AHCRTR2
SCHEMBL15799321 0.84 MGLL (0.43) MGLLSCN9AHCRTR2
SCHEMBL15793460 0.84 MGLL (0.43) MGLLSCN9AHCRTR2
SCHEMBL14814766 0.83 MGLL (0.42) MGLLSCN9AHCRTR2HCRTR1

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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

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 MGLL 4703/4885SCN9A 298/4885HCRTR2 434/4885

“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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