SCHEMBL14815988

SCHEMBL14815988

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCN2C1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ LIPE Q05469 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ SFRP1 Q8N474 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MGLL Q99685 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
SCHEMBL14815632 0.89 EPHX2 (0.47) KMT2AMEN1LIPECHRNA7L3MBTL3
SCHEMBL14815755 0.85 TRPV4 (0.45) KMT2AMEN1LIPECHRNA7L3MBTL3
SCHEMBL14815622 0.84 TRPV4 (0.52) KMT2AMEN1CHRNA7L3MBTL3L3MBTL1
SCHEMBL14815689 0.82 KMT2A (0.46) KMT2AMEN1L3MBTL3L3MBTL1LMNA
SCHEMBL14815882 0.79 KMT2A (0.43) KMT2AMEN1L3MBTL3L3MBTL1TP53
SCHEMBL14815675 0.79 KMT2A (0.47) KMT2AMEN1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL14815877 0.78 PTGDR (0.42) KMT2AMEN1L3MBTL3L3MBTL1TP53
SCHEMBL14837218 0.76 CHRNA7 (0.40) KMT2AMEN1LIPECHRNA7MMP2
SCHEMBL14815389 0.76 TRPV4 (0.53) KMT2AMEN1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL14815962 0.74 TRPV4 (0.50) KMT2AMEN1L3MBTL3L3MBTL1ALDH1A1

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 KMT2A 1876/4885MEN1 1999/4885LIPE 4568/4885

“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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