SCHEMBL14815065

SCHEMBL14815065

CC(Oc1cccc(C(F)(F)F)c1)C(=O)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 5/20 0.38
▸ SCN9A Q15858 4/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CCR2 P41597 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ FFAR1 O14842 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
SCHEMBL14814951 0.86 LIPE (0.46) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14815166 0.86 LIPE (0.46) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14815056 0.86 LIPE (0.46) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14815088 0.86 SCN9A (0.37) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14814775 0.86 MAPT (0.46) LIPESCN9A
SCHEMBL14815197 0.86 LIPE (0.42) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14814932 0.86 LIPE (0.42) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14814552 0.86 LIPE (0.42) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14815200 0.85 LIPE (0.36) LIPESCN9ASCN10ALIPGCCR2
SCHEMBL14815067 0.85 KLRK1 (0.39) LIPESCN9ALIPGCCR2KCNH2

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 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 4720/4885SCN9A 298/4885SCN10A 197/4885

“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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