SCHEMBL14815515

SCHEMBL14815515

CC(C)c1cnc(O[C@@H]2C[C@H]3CN(S(=O)(=O)c4cccc(C(C)(C)C)c4)CCN3C2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ EIF4H Q15056 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 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
SCHEMBL15462438 1.00 SCN3A (0.34) SCN3AGBA1KDM4EGAAHPGD
SCHEMBL15462494 0.93 KDM4E (0.42) SCN3AKDM4EGAAHPGDKMT2A
SCHEMBL14816029 0.93 KDM4E (0.42) SCN3AKDM4EGAAHPGDKMT2A
SCHEMBL14815848 0.87 MCHR1 (0.35) SCN3AGBA1KDM4EGAAHPGD
SCHEMBL15462425 0.87 MCHR1 (0.35) SCN3AGBA1KDM4EGAAHPGD
SCHEMBL14816057 0.87 NAAA (0.31) HSD11B1
SCHEMBL15462500 0.87 NAAA (0.31) HSD11B1
SCHEMBL15462463 0.85 OPRM1 (0.35) SCN3AGBA1KDM4EGAAKMT2A
SCHEMBL14815631 0.85 OPRM1 (0.35) SCN3AGBA1KDM4EGAAKMT2A
SCHEMBL14815822 0.84 KDM4E (0.40) SCN3AKDM4EGAAKMT2AHSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN3A 116/4885GBA1 1509/4885KDM4E 3640/4885

“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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