SCHEMBL14815317

SCHEMBL14815317

COC(C(=O)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.37
▸ LIPE Q05469 5/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MGLL Q99685 6/20 0.34
▸ SCN9A Q15858 3/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL14815164 0.83 LIPE (0.37) LIPESCN9ALIPGSCN10A
SCHEMBL14815088 0.79 SCN9A (0.37) LIPESCN9ALIPGSCN10A
SCHEMBL14814818 0.79 HRH3 (0.36) HRH3MGLLSCN9AGPR119
SCHEMBL14814839 0.79 RET (0.33) RETLIPEGPR119
SCHEMBL14815204 0.78 ABL1 (0.42) MGLLSCN9A
SCHEMBL14815262 0.78 ABL1 (0.42) MGLLSCN9A
SCHEMBL14833210 0.78 ABL1 (0.42) MGLLSCN9A
SCHEMBL14833209 0.78 ABL1 (0.42) MGLLSCN9A
SCHEMBL14814656 0.78 MGLL (0.54) MGLL
SCHEMBL14815166 0.78 LIPE (0.46) LIPESCN9ALIPGSCN10A

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
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 RET 3066/4885LIPE 4720/4885HRH3 1244/4885

“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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