SCHEMBL14816166

SCHEMBL14816166

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.46
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CA P42336 3/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ MGLL Q99685 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
SCHEMBL14816164 1.00 GPR119 (0.46) GPR119PIK3CDPIK3CAPDE4BUSP30
SCHEMBL14815350 0.85 HRH3 (0.38) GPR119MGLL
SCHEMBL14814818 0.85 HRH3 (0.36) GPR119MGLL
SCHEMBL14815125 0.82 GPR119 (0.42) GPR119PIK3CDPIK3CAUSP30
SCHEMBL15793575 0.79 HRH3 (0.38) GPR119
SCHEMBL14815431 0.79 SCN9A (0.38) MGLL
SCHEMBL14814622 0.79 MGLL (0.38) MGLL
SCHEMBL14815118 0.79 GPR119 (0.39) GPR119MGLL
SCHEMBL14815073 0.78 HRH3 (0.39) MGLL
SCHEMBL20328287 0.78 CNR2 (0.32) —

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-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US disclosed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES 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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A GPR119 2105/4885PIK3CD 3029/4885PIK3CA 3405/4885

“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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