SCHEMBL14815839

SCHEMBL14815839

N#Cc1ccccc1S(=O)(=O)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ GBA1 P04062 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ TRPV4 Q9HBA0 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
SCHEMBL14815845 0.88 SGK1 (0.36) PKMGAATSHRTDP1TRPV4
SCHEMBL15462487 0.86 NAAA (0.39) GAATDP1AKR1C3ALOX5APFEN1
SCHEMBL14815787 0.86 ALOX5AP (0.41) ALDH1A1GAAJAK2JAK1L3MBTL1
SCHEMBL14815821 0.86 NAAA (0.39) GAATDP1AKR1C3ALOX5APFEN1
SCHEMBL14816010 0.86 NR1H2 (0.37) ALOX5APFEN1TRPV4
SCHEMBL14815542 0.85 CNR1 (0.43) MAPTTSHRAKR1C3ALOX5APFEN1
SCHEMBL15462405 0.85 CNR1 (0.43) MAPTTSHRAKR1C3ALOX5APFEN1
SCHEMBL14816192 0.84 KMT2A (0.45) ALDH1A1MAPTTSHRHTTAKR1C3
SCHEMBL14815991 0.84 GAA (0.40) GAAJAK2JAK1L3MBTL1
SCHEMBL14815436 0.83 KMT2A (0.40) ALDH1A1MAPTTSHRAKR1C3ALOX5AP

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 KDM4E 3640/4885ATM 4847/4885ALDH1A1 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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