SCHEMBL14815099

SCHEMBL14815099

O=C(CCC(F)(F)F)N1CC[C@@H]2CC[C@H](Oc3cccc(C(F)(F)F)n3)N2C1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL14815401 0.94 MGLL (0.37) NAMPT
SCHEMBL14814728 0.86 HCRTR2 (0.39) —
SCHEMBL14815301 0.79 EPHX2 (0.41) EPHX2
SCHEMBL14815194 0.74 IRAK4 (0.36) —
SCHEMBL14815318 0.74 HCRTR2 (0.38) EPHX2
SCHEMBL14814945 0.74 NAMPT (0.38) NAMPT
SCHEMBL20744288 0.72 HTR1A (0.53) —
SCHEMBL14815100 0.71 HCRTR2 (0.41) EPHX2
SCHEMBL14814933 0.69 HCRTR2 (0.37) NAMPT
SCHEMBL14815260 0.67 MEN1 (0.44) NAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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

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 EPHX2 2168/4885NAMPT 4364/4885

“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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