SCHEMBL14814930

SCHEMBL14814930

O=C(c1cc(OC(F)(F)F)ccc1F)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ MAPK7 Q13164 11/20 0.37
▸ MGLL Q99685 3/20 0.36
▸ FAAH O00519 1/20 0.35
▸ SLC2A1 P11166 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL14815245 0.84 MGLL (0.37) SCN9ASCN10AMAPK7MGLLEPHX2
SCHEMBL14815341 0.83 HRH3 (0.43) SCN9ASCN10AMAPK7EPHX2EGLN1
SCHEMBL14815278 0.82 MGLL (0.38) MGLL
SCHEMBL14815222 0.82 P2RX7 (0.39) JAK2SCN9AMAPK7MGLL
SCHEMBL14815378 0.80 KMT2A (0.42) SCN9ASCN10AMGLL
SCHEMBL14815365 0.79 MGLL (0.41) JAK2SCN9ASCN10AMAPK7MGLL
SCHEMBL14815458 0.79 GAA (0.41) JAK2MAPK7MGLLEGLN1
SCHEMBL14815225 0.78 RBP4 (0.44) MGLLFAAH
SCHEMBL14815371 0.78 RBP4 (0.44) MGLLFAAH
SCHEMBL14815202 0.78 JAK2 (0.36) JAK2EGLN1

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 JAK2 1864/4885SCN9A 298/4885SCN10A 197/4885

“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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