SCHEMBL14814942

SCHEMBL14814942

O=C(Cc1cccc(C(F)(F)F)c1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 7/20 0.43
▸ MGLL Q99685 3/20 0.38
▸ RBP4 P02753 1/20 0.37
▸ PRCP P42785 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL14815116 0.92 MGLL (0.42) LIPEMGLLRBP4P2RX7
SCHEMBL14814809 0.88 MGLL (0.48) MGLLP2RX7
SCHEMBL14814992 0.85 LIPE (0.37) LIPEP2RX7
SCHEMBL14815141 0.85 LIPE (0.46) LIPE
SCHEMBL14814725 0.85 LIPE (0.37) LIPE
SCHEMBL14815079 0.85 MEN1 (0.46) LIPE
SCHEMBL14814882 0.84 MGLL (0.42) MGLL
SCHEMBL14814957 0.84 LIPE (0.45) LIPEHRH3
SCHEMBL14815169 0.83 LIPE (0.38) LIPEMGLL
SCHEMBL14814656 0.83 MGLL (0.54) MGLLRBP4P2RX7

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 LIPE 4720/4885MGLL 4703/4885RBP4 3407/4885

“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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