SCHEMBL398777

SCHEMBL398777

O=C(c1ccc(S(=O)(=O)Cl)cc1)N1CCN2CCC[C@@H]2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 12/20 0.59
▸ L3MBTL1 Q9Y468 10/20 0.59
▸ MBTD1 Q05BQ5 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ CACNA1H O95180 1/20 0.51
▸ TP53BP1 Q12888 1/20 0.50
▸ L3MBTL4 Q8NA19 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49

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
SCHEMBL896913 0.82 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL15131501 0.81 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL10194872 0.81 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL17888405 0.78 ALDH1A1 (0.64) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL19226622 0.78 KMT2A (0.61) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL15317728 0.78 MEN1 (0.61) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL17076779 0.77 L3MBTL3 (0.68) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL17888368 0.77 L3MBTL3 (0.68) L3MBTL3L3MBTL1MBTD1ALDH1A1MEN1
SCHEMBL3060695 0.76 CA12 (0.68) ALDH1A1HPGDCA12CA1CA2
SCHEMBL394640 0.75 LRRK2 (0.57) L3MBTL3L3MBTL1ALDH1A1MEN1HPGD

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 5 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 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 L3MBTL3 2063/4885L3MBTL1 1498/4885MBTD1 945/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 L3MBTL3 2063/4885L3MBTL1 1498/4885MBTD1 945/4885

“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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