SCHEMBL14816147

SCHEMBL14816147

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN2C[C@@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ CCR6 P51684 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL14815434 1.00 KDM4E (0.41) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL14815581 1.00 KDM4E (0.41) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL15462491 0.96 KDM4E (0.42) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL14815767 0.96 KDM4E (0.42) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL15794573 0.95 KDM4E (0.42) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL15793775 0.95 KDM4E (0.42) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL15794106 0.95 KDM4E (0.42) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL15794170 0.95 KDM4E (0.42) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL14815583 0.93 SCN3A (0.38) KDM4EMEN1KMT2ASCN3AGPR119
SCHEMBL15462460 0.93 SCN3A (0.38) KDM4EMEN1KMT2ASCN3AGPR119

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 3640/4885MEN1 1999/4885KMT2A 1876/4885

“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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