SCHEMBL14814992

SCHEMBL14814992

O=C(Cc1ccc(C(F)(F)F)c(F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 5/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ PANK3 Q9H999 2/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ KCNJ1 P48048 6/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL14814725 0.94 LIPE (0.37) LIPEKCNJ1SCN9A
SCHEMBL14815169 0.90 LIPE (0.38) LIPEPANK3SCN9ALRRK2
SCHEMBL14815029 0.89 PANK3 (0.39) LIPEPANK3NTRK1KCNJ1
SCHEMBL14815372 0.88 KCNJ1 (0.36) LIPEPANK3KCNJ1
SCHEMBL14814957 0.88 LIPE (0.45) LIPESCN9A
SCHEMBL14814708 0.87 SMN1; SMN2 (0.42) LIPE
SCHEMBL14815079 0.86 MEN1 (0.46) LIPESCN9A
SCHEMBL14814942 0.85 LIPE (0.43) LIPEP2RX7
SCHEMBL14815230 0.85 LIPE (0.41) LIPESCN9A
SCHEMBL14815141 0.84 LIPE (0.46) LIPESCN9A

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-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 4720/4885P2RX7 234/4885PANK3 4165/4885

“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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