SCHEMBL394640

SCHEMBL394640

Nc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.57
▸ L3MBTL1 Q9Y468 8/20 0.53
▸ L3MBTL3 Q96JM7 7/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ HSD11B1 P28845 2/20 0.47
▸ HRH3 Q9Y5N1 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
SCHEMBL394641 1.00 LRRK2 (0.57) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL396629 0.90 LRRK2 (0.70) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL396628 0.90 LRRK2 (0.70) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL398034 0.85 L3MBTL3 (0.53) LRRK2L3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL398033 0.85 L3MBTL3 (0.53) LRRK2L3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL399814 0.85 CACNA1H (0.54) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL399815 0.85 CACNA1H (0.54) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL15131501 0.82 L3MBTL3 (0.65) L3MBTL1L3MBTL3ALDH1A1KDM4EMEN1
SCHEMBL18407314 0.80 ALDH1A1 (0.60) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL16982454 0.80 ALDH1A1 (0.60) LRRK2L3MBTL1L3MBTL3ALDH1A1KDM4E

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 LRRK2 940/4885L3MBTL1 1498/4885L3MBTL3 2063/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 LRRK2 940/4885L3MBTL1 1498/4885L3MBTL3 2063/4885

“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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