SCHEMBL14815116

SCHEMBL14815116

O=C(Cc1cccc(C(F)(F)F)c1Cl)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.42
▸ LIPE Q05469 6/20 0.42
▸ P2RX7 Q99572 10/20 0.39
▸ RBP4 P02753 1/20 0.36

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
SCHEMBL14814942 0.92 LIPE (0.43) MGLLLIPEP2RX7RBP4
SCHEMBL14815169 0.85 LIPE (0.38) MGLLLIPE
SCHEMBL14815079 0.83 MEN1 (0.46) LIPE
SCHEMBL14814957 0.83 LIPE (0.45) LIPE
SCHEMBL14814992 0.82 LIPE (0.37) LIPEP2RX7
SCHEMBL14814725 0.82 LIPE (0.37) LIPE
SCHEMBL14815141 0.82 LIPE (0.46) LIPE
SCHEMBL14814656 0.82 MGLL (0.54) MGLLP2RX7RBP4
SCHEMBL14814882 0.81 MGLL (0.42) MGLL
SCHEMBL14814809 0.81 MGLL (0.48) MGLLP2RX7

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 2 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
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 4703/4885LIPE 4720/4885P2RX7 234/4885

“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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