SCHEMBL400191

SCHEMBL400191

O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN2CCC[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 1.00
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.64
RXFP1 Q9HBX9 1/20 0.53
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ACLY P53396 1/20 0.45

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
SCHEMBL395430 1.00 CACNA1H (1.00) CACNA1HLMNAALDH1A1RXFP1HTT
SCHEMBL400086 0.97 CACNA1H (0.94) CACNA1HLMNAALDH1A1RXFP1HTT
SCHEMBL397734 0.94 CACNA1H (0.88) CACNA1HLMNAALDH1A1RXFP1HTT
SCHEMBL395364 0.94 CACNA1H (0.88) CACNA1HLMNAALDH1A1RXFP1HTT
SCHEMBL399269 0.91 CACNA1H (0.83) CACNA1HLMNAALDH1A1HTTKMT2A
SCHEMBL397330 0.91 CACNA1H (0.83) CACNA1HLMNAALDH1A1HTTKMT2A
SCHEMBL398040 0.91 CACNA1H (0.83) CACNA1HLMNAALDH1A1HTTKMT2A
SCHEMBL397864 0.91 CACNA1H (0.83) CACNA1HLMNAALDH1A1HTTKMT2A
SCHEMBL15168772 0.90 CACNA1H (0.82) CACNA1HLMNAALDH1A1HTTKMT2A
SCHEMBL398991 0.90 CACNA1H (0.82) CACNA1HLMNAALDH1A1HTTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382191-B1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE BAHAMAS LTD (BS) 2014-11-12 EP claimed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US claimed
US-8101614-B2 Substituted pyrrolo [1,2-a] pyrazines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-01-24 US claimed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 US claimed
EP-2382191-B1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE BAHAMAS LTD (BS) 2014-11-12 EP disclosed
US-8741899-B2 (4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[(8aR)-hexahydropyrrolo-[1,2-a]pyrazin-2(1H)-ylcarbonyl]-benzenesulfonamide, and pharmaceutically acceptable salts thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US disclosed
US-8101614-B2 Substituted pyrrolo [1,2-a] pyrazines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 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 (2 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-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 CACNA1H 13/4885LMNA 868/4885ALDH1A1 1038/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 CACNA1H 13/4885LMNA 868/4885ALDH1A1 1038/4885

“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.