SCHEMBL14815967

SCHEMBL14815967

O=S(=O)(c1cccc(F)c1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 13/20 0.39
▸ FEN1 P39748 13/20 0.39
▸ NAAA Q02083 2/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14815787 0.93 ALOX5AP (0.41) ALOX5APFEN1SMN1; SMN2MAPK1
SCHEMBL14815679 0.92 CYP19A1 (0.37) ALOX5APFEN1SMN1; SMN2SCN3APKM
SCHEMBL15462515 0.91 CHRM1 (0.41) ALOX5APFEN1NAAACHRM1SCN3A
SCHEMBL14815880 0.91 CHRM1 (0.41) ALOX5APFEN1NAAACHRM1SCN3A
SCHEMBL14815380 0.90 PKM (0.41) ALOX5APFEN1NAAAPKM
SCHEMBL15462462 0.90 PKM (0.41) ALOX5APFEN1NAAAPKM
SCHEMBL15462474 0.88 ALOX5AP (0.39) ALOX5APFEN1USP2PKMMAPK1
SCHEMBL14815548 0.88 ALOX5AP (0.39) ALOX5APFEN1USP2PKMMAPK1
SCHEMBL14815542 0.86 CNR1 (0.43) ALOX5APFEN1
SCHEMBL14815945 0.86 PKM (0.40) ALOX5APFEN1SMN1; SMN2SCN3APKM

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 4851/4885NAAA 2548/4885

“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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