SCHEMBL14816167

SCHEMBL14816167

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN2C[C@H](Oc3ccnc(C4CC4)n3)C[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL14815969 0.90 MEN1 (0.40) KDM4EHSD11B1HTTTP53GAA
SCHEMBL15462512 0.90 MEN1 (0.40) KDM4EHSD11B1HTTTP53GAA
SCHEMBL15462449 0.87 HTT (0.42) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL14816114 0.87 HTT (0.42) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL15462508 0.86 HTT (0.45) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL14815496 0.86 HTT (0.45) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL14815537 0.85 KDM4E (0.42) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL15462501 0.85 KDM4E (0.42) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL14815759 0.85 KDM4E (0.43) KDM4EHSD11B1PKMPKLRHTT
SCHEMBL14816165 0.85 KDM4E (0.43) KDM4EHSD11B1PKMPKLRHTT

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 3640/4885HSD11B1 3627/4885PKM 2827/4885

“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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