SCHEMBL398033

SCHEMBL398033

Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 8/20 0.53
▸ L3MBTL1 Q9Y468 8/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.48
▸ CACNA1H O95180 1/20 0.47
▸ HSD11B1 P28845 2/20 0.47

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
SCHEMBL398034 1.00 L3MBTL3 (0.53) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL399815 0.85 CACNA1H (0.54) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL394641 0.85 LRRK2 (0.57) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL399814 0.85 CACNA1H (0.54) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL394640 0.85 LRRK2 (0.57) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL396629 0.83 LRRK2 (0.70) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL396628 0.83 LRRK2 (0.70) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL18407314 0.82 ALDH1A1 (0.60) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL16982454 0.82 ALDH1A1 (0.60) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL18394775 0.82 ALDH1A1 (0.60) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1

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 1498/4885KMT2A 4316/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 L3MBTL3 2063/4885L3MBTL1 1498/4885KMT2A 4316/4885

“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.

Send feedback