SCHEMBL14814939

SCHEMBL14814939

O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.40
▸ SCN10A Q9Y5Y9 4/20 0.37
▸ RHOA P61586 1/20 0.37
▸ LIPE Q05469 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ SCN7A Q01118 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ SCN8A Q9UQD0 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
SCHEMBL14815073 0.92 HRH3 (0.39) SCN9AHRH3MGLLKCNH2
SCHEMBL14815204 0.88 ABL1 (0.42) SCN9AMGLLKCNH2
SCHEMBL14815262 0.88 ABL1 (0.42) SCN9AMGLLKCNH2
SCHEMBL14833210 0.88 ABL1 (0.42) SCN9AMGLLKCNH2
SCHEMBL14833209 0.88 ABL1 (0.42) SCN9AMGLLKCNH2
SCHEMBL14815151 0.88 SCN9A (0.43) SCN9ASCN10ALIPELIPGMGLL
SCHEMBL14815230 0.86 LIPE (0.41) SCN9ASCN10ALIPELIPGMGLL
SCHEMBL14815006 0.86 MGLL (0.37) SCN9AHRH3MGLLKCNH2
SCHEMBL14815234 0.84 P2RX7 (0.41) SCN9AHRH3MGLL
SCHEMBL14815084 0.84 SCN9A (0.42) SCN9ASCN10ALIPGMGLLSCN7A

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 3 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

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 SCN9A 298/4885SCN10A 197/4885RHOA 3851/4885

“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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