SCHEMBL569528

SCHEMBL569528

S=C=NCC1CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2143495 1.00 APLNR (0.36)
SCHEMBL11053867 0.88
SCHEMBL6538414 0.88
SCHEMBL13563355 0.87 NAAA (0.33)
SCHEMBL13973740 0.87 TRPA1 (0.32)
(Isothiocyanatomethyl)Cyclohexane SCHEMBL1448756 0.86 KEAP1 (0.42)
SCHEMBL3250801 0.82 NAAA (0.33)
SCHEMBL21406417 0.82 KEAP1 (0.35)
SCHEMBL29265191 0.82 TRPA1 (0.43)
SCHEMBL3398048 0.80 PLG (0.50)

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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577228-B2 Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds UCB Biopharma SRL (BE) 2026-03-17 US disclosed
EP-4081296-B1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2026-02-11 EP disclosed
US-20230303517-A1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (GB) 2023-09-28 US disclosed
EP-4081296-A1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2022-11-02 EP disclosed
WO-2021130259-A1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2021-07-01 WO disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
CN-106715415-B 3-amino-1, 5,6, 7-tetrahydro-4H-indol-4-ones 拜耳制药股份公司 2019-06-14 CN disclosed
EP-2994469-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2018-12-19 EP disclosed
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 US disclosed
US-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 US disclosed
EP-0010401-B1 NOVEL (1-SUBSTITUTED) CYCLOALKYLMETHYL-ISOTHIOCYANATES, A PROCESS FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-05-05 EP disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 US disclosed
US-4216217-A FUNGICIDES, INSECTICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-05 US disclosed
EP-0010401-A2 Novel (1-substituted) cycloalkylmethyl-isothiocyanates, a process for their preparation, compositions comprising them, and their use as pesticides JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-30 EP disclosed
US-4001241-A GASTRIC ACID, ANTISECRETORY AGENTS SMITHKLINE CORPORATION (US) 1977-01-04 US disclosed
US-3966945-A 2-Alkoxy(and 2-alkoxyalkyl)-2-heterocyclic-thioacetamides for inhibiting gastric acid secretion SMITHKLINE CORPORATION (US) 1976-06-29 US disclosed
US-3956494-A ANTISECRETORY AGENTS, HETEROCYCLIC THIOPROPIONAMIDES SMITHKLINE CORPORATION (US) 1976-05-11 US disclosed
US-3948892-A 2-Alkoxy(and 2-amino)-3-amino-2-heterocyclic-thiopropanamides SMITHKLINE CORPORATION (US) 1976-04-06 US disclosed