SCHEMBL14815787

SCHEMBL14815787

O=S(=O)(c1ccccc1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 7/20 0.41
▸ FEN1 P39748 7/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL14815967 0.93 ALOX5AP (0.39) ALOX5APFEN1SMN1; SMN2MAPK1
SCHEMBL14815380 0.90 PKM (0.41) ALOX5APFEN1ALDH1A1
SCHEMBL15462462 0.90 PKM (0.41) ALOX5APFEN1ALDH1A1
SCHEMBL14815945 0.89 PKM (0.40) ALOX5APFEN1SMN1; SMN2RAB9A
SCHEMBL14815422 0.89 PKM (0.39) ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL14815821 0.89 NAAA (0.39) ALOX5APFEN1SMN1; SMN2GAA
SCHEMBL15462487 0.89 NAAA (0.39) ALOX5APFEN1SMN1; SMN2GAA
SCHEMBL14815868 0.88 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL14816192 0.88 KMT2A (0.45) ALOX5APFEN1ALDH1A1MAPK1KMT2A
SCHEMBL15462453 0.88 ALOX5AP (0.36) ALOX5APFEN1

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-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US claimed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed
US-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US disclosed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES 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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A ALOX5AP 649/4885FEN1 4851/4885ALDH1A1 1439/4885

“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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