SCHEMBL14815882

SCHEMBL14815882

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ TRPV4 Q9HBA0 5/20 0.41
▸ PTGDR Q13258 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HTT P42858 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
SCHEMBL14815755 0.94 TRPV4 (0.45) KMT2AL3MBTL3L3MBTL1EPHX2TSHR
SCHEMBL14815675 0.93 KMT2A (0.47) KMT2AL3MBTL3L3MBTL1EPHX2LMNA
SCHEMBL14815877 0.92 PTGDR (0.42) KMT2AL3MBTL3L3MBTL1EPHX2CNR2
SCHEMBL14815391 0.90 EPHX2 (0.41) EPHX2GAATSHRTRPV4HCRTR1
SCHEMBL14815389 0.85 TRPV4 (0.53) KMT2AL3MBTL3L3MBTL1EPHX2LMNA
SCHEMBL14815632 0.85 EPHX2 (0.47) KMT2AL3MBTL3L3MBTL1EPHX2LMNA
SCHEMBL14816185 0.85 KMT2A (0.55) KMT2AL3MBTL3L3MBTL1LMNAGAA
SCHEMBL14815622 0.81 TRPV4 (0.52) KMT2AL3MBTL3L3MBTL1EPHX2LMNA
SCHEMBL14815689 0.81 KMT2A (0.46) KMT2AL3MBTL3L3MBTL1LMNAGAA
SCHEMBL14816231 0.79 EPHX2 (0.44) KMT2AEPHX2LMNATRPV4PTGDR2

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 1876/4885L3MBTL3 3225/4885L3MBTL1 2446/4885

“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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