SCHEMBL14816208

SCHEMBL14816208

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN2C[C@H](Oc3ccc(C(F)(F)F)cn3)C[C@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ SCN3A Q9NY46 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CCR6 P51684 2/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD11B1 P28845 4/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ EPHX2 P34913 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
SCHEMBL15462451 1.00 KDM4E (0.47) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL15462542 0.89 SCN3A (0.46) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL14815757 0.89 SCN3A (0.46) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL14815434 0.89 KDM4E (0.41) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL14815581 0.89 KDM4E (0.41) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL14816147 0.89 KDM4E (0.41) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL14815767 0.87 KDM4E (0.42) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL15462478 0.87 KDM4E (0.40) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL15462491 0.87 KDM4E (0.42) KDM4ESCN3AMEN1KMT2AL3MBTL1
SCHEMBL14815822 0.87 KDM4E (0.40) KDM4ESCN3AMEN1KMT2AL3MBTL1

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 KDM4E 3640/4885SCN3A 116/4885MEN1 1999/4885

“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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