SCHEMBL14816121

SCHEMBL14816121

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN2CC[C@@H](Oc3ccc(Cl)cn3)[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ HSD11B1 P28845 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL14816189 1.00 KDM4E (0.44) KDM4ECNR1LMNAUSP2ALDH1A1
SCHEMBL14816120 1.00 KDM4E (0.44) KDM4ECNR1LMNAUSP2ALDH1A1
SCHEMBL14815085 0.81 MGLL (0.48) KDM4ELMNAALDH1A1HSD11B1HPGD
SCHEMBL14815181 0.81 MGLL (0.48) KDM4ELMNAALDH1A1HSD11B1HPGD
SCHEMBL14815083 0.81 MGLL (0.48) KDM4ELMNAALDH1A1HSD11B1HPGD
SCHEMBL14814829 0.76 ACACB (0.37) —
SCHEMBL14814827 0.76 ACACB (0.37) —
SCHEMBL14814988 0.76 ADRB1 (0.40) KDM4EL3MBTL1
SCHEMBL14814987 0.76 ADRB1 (0.40) KDM4EL3MBTL1
SCHEMBL14815757 0.75 SCN3A (0.46) KDM4ECNR1LMNAUSP2ALDH1A1

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 3640/4885CNR1 279/4885LMNA 1787/4885

“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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