SCHEMBL14815876

SCHEMBL14815876

N#Cc1cccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.40
▸ JAK2 O60674 4/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ SCN9A Q15858 3/20 0.37
▸ HSD11B1 P28845 3/20 0.36
▸ SMYD3 Q9H7B4 4/20 0.35
▸ SFRP1 Q8N474 1/20 0.35

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
SCHEMBL14815991 0.90 GAA (0.40) JAK1JAK2HSD11B1
SCHEMBL15462539 0.87 SMN1; SMN2 (0.42) JAK1JAK2AKR1C3
SCHEMBL15462432 0.87 GRM5 (0.38) JAK1JAK2AKR1C3
SCHEMBL14816018 0.87 GRM5 (0.38) JAK1JAK2AKR1C3
SCHEMBL15462417 0.87 MBTD1 (0.44) AKR1C3
SCHEMBL15462497 0.87 ALDH1A1 (0.40) AKR1C3HSD11B1
SCHEMBL14815855 0.87 ALDH1A1 (0.40) AKR1C3HSD11B1
SCHEMBL14815958 0.87 MBTD1 (0.44) AKR1C3
SCHEMBL14816183 0.87 SMN1; SMN2 (0.42) JAK1JAK2AKR1C3
SCHEMBL15462534 0.86 CNR1 (0.41) AKR1C3

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 JAK1 2822/4885JAK2 1514/4885AKR1C3 2207/4885

“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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