SCHEMBL14815631

SCHEMBL14815631

C=C(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 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ GBA1 P04062 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ BCL9 O00512 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL15462463 1.00 OPRM1 (0.35) OPRM1OPRD1GBA1TDP1KDM4E
SCHEMBL15462525 0.93 KDM4E (0.41) KDM4ECNR1L3MBTL1HSD11B1ALDH1A1
SCHEMBL14815763 0.93 KDM4E (0.41) KDM4ECNR1L3MBTL1HSD11B1ALDH1A1
SCHEMBL15462450 0.87 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL14815704 0.87 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL14815848 0.86 MCHR1 (0.35) OPRM1OPRD1GBA1KDM4ECNR1
SCHEMBL15462425 0.86 MCHR1 (0.35) OPRM1OPRD1GBA1KDM4ECNR1
SCHEMBL15462438 0.85 SCN3A (0.34) OPRM1OPRD1GBA1TDP1KDM4E
SCHEMBL14815515 0.85 SCN3A (0.34) OPRM1OPRD1GBA1TDP1KDM4E
SCHEMBL14815397 0.84 KDM4E (0.39) KDM4EL3MBTL1SCN3AHSD11B1ALDH1A1

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-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
WO-2013049174-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 OPRM1 216/4885OPRD1 174/4885GBA1 1509/4885

“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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