SCHEMBL14814982

SCHEMBL14814982

O=C(c1ccc(F)c(OC(F)(F)F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.41
▸ PROKR1 Q8TCW9 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.36
▸ MAPK7 Q13164 2/20 0.36
▸ SCN9A Q15858 3/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL14815304 0.91 MGLL (0.42) MGLLPROKR1HRH3MAPK7SCN9A
SCHEMBL14815234 0.89 P2RX7 (0.41) MGLLPROKR1HRH3SCN9A
SCHEMBL14814802 0.87 MGLL (0.47) MGLL
SCHEMBL14815105 0.86 HSD11B1 (0.44) MGLLHRH3MAPK7SCN9ASCN10A
SCHEMBL14815365 0.85 MGLL (0.41) MGLLMAPK7SCN9ASCN10A
SCHEMBL14815151 0.84 SCN9A (0.43) MGLLSCN9ASCN10A
SCHEMBL15794429 0.84 PROKR1 (0.40) PROKR1HRH3SCN9A
SCHEMBL15799477 0.84 PROKR1 (0.40) PROKR1HRH3SCN9A
SCHEMBL15794048 0.84 PROKR1 (0.40) PROKR1HRH3SCN9A
SCHEMBL15793326 0.84 PROKR1 (0.40) PROKR1HRH3SCN9A

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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 MGLL 4703/4885PROKR1 2054/4885HRH3 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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