SCHEMBL14815245

SCHEMBL14815245

O=C(c1cc(Cl)cc(OC(F)(F)F)c1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.37
▸ MAPK7 Q13164 11/20 0.37
▸ SCN9A Q15858 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ FFAR4 Q5NUL3 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
SCHEMBL14814930 0.84 JAK2 (0.39) MGLLMAPK7SCN9ASCN10AEPHX2
SCHEMBL14815202 0.81 JAK2 (0.36) EGLN1HRH3HSD11B1
SCHEMBL14815458 0.81 GAA (0.41) MGLLMAPK7EGLN1HSD11B1
SCHEMBL14815222 0.80 P2RX7 (0.39) MGLLMAPK7SCN9AHRH3HSD11B1
SCHEMBL14815225 0.79 RBP4 (0.44) MGLLHSD11B1
SCHEMBL14815341 0.79 HRH3 (0.43) MAPK7SCN9ASCN10AEPHX2EGLN1
SCHEMBL14815371 0.79 RBP4 (0.44) MGLLHSD11B1
SCHEMBL14815054 0.79 MGLL (0.39) MGLLMAPK7SCN9ASCN10AEPHX2
SCHEMBL14815378 0.78 KMT2A (0.42) MGLLSCN9ASCN10A
SCHEMBL14815342 0.78 KDM4E (0.38) MGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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 4703/4885MAPK7 3250/4885SCN9A 298/4885

“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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