SCHEMBL23122811

SCHEMBL23122811

Nc1ccc(N2CCC(N3CCOCC3)CC2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 4/20 0.54
L3MBTL3 Q96JM7 8/20 0.53
L3MBTL1 Q9Y468 7/20 0.53
AOC3 Q16853 2/20 0.46
MBTD1 Q05BQ5 3/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TP53BP1 Q12888 2/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
ALK Q9UM73 1/20 0.40
PIK3CD O00329 1/20 0.40
MAP4K4 O95819 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL29745213 1.00 LGMN (0.54) LGMNL3MBTL3L3MBTL1AOC3MBTD1
SCHEMBL31547334 0.86 L3MBTL3 (0.45) LGMNL3MBTL3L3MBTL1AOC3MBTD1
SCHEMBL13559445 0.86 L3MBTL3 (0.68) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3532834 0.84 L3MBTL3 (0.66) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL77976 0.84 L3MBTL3 (0.59) LGMNL3MBTL3L3MBTL1AOC3MBTD1
SCHEMBL310378 0.84 CHEK1 (0.47) LGMNL3MBTL3L3MBTL1AOC3KIT
SCHEMBL1911911 0.84 L3MBTL3 (0.45) LGMNL3MBTL3L3MBTL1AOC3ALK
SCHEMBL16245831 0.84 LGMN (0.47) LGMNL3MBTL3L3MBTL1AOC3MBTD1
SCHEMBL6052510 0.84 KDM4E (0.49) LGMNL3MBTL3L3MBTL1AOC3MBTD1
SCHEMBL904452 0.84 LGMN (0.73) LGMNL3MBTL1PIK3CDNPC1TP53

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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 LGMN 737/4885L3MBTL3 2201/4885L3MBTL1 1610/4885

“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.