SCHEMBL14815431

SCHEMBL14815431

CC(C)(C)c1ccnc(C(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ RBP4 P02753 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
SCHEMBL14814593 0.92 SCN9A (0.45) SCN9ASCN10A
SCHEMBL14814865 0.82 SCN9A (0.50) SCN9ASCN10A
SCHEMBL14814622 0.81 MGLL (0.38) SCN9AMGLLHRH3
SCHEMBL14815328 0.79 KCNK3 (0.42) SCN9AMGLLHRH3
SCHEMBL14816164 0.79 GPR119 (0.46) MGLL
SCHEMBL14816166 0.79 GPR119 (0.46) MGLL
SCHEMBL14815151 0.79 SCN9A (0.43) SCN9ASCN10AMGLL
SCHEMBL14814818 0.79 HRH3 (0.36) SCN9AMGLLHRH3
SCHEMBL14815350 0.79 HRH3 (0.38) MGLLHRH3
SCHEMBL14833210 0.78 ABL1 (0.42) SCN9AMGLLRBP4

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 SCN9A 298/4885SCN10A 197/4885MGLL 4703/4885

“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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