SCHEMBL4287458

SCHEMBL4287458

CN(C)C1(C)CCNC1

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
SCHEMBL24900660 1.00
Hydrochloric Acid SCHEMBL26685428 0.97 HTR2A (0.31)
Hydrochloric Acid SCHEMBL30632741 0.97 HTR2A (0.31)
Hydrochloric Acid SCHEMBL31209348 0.97 HTR2A (0.31)
SCHEMBL30069359 0.85 HTR2A (0.32)
SCHEMBL25633283 0.83 OPRM1 (0.34)
SCHEMBL24521677 0.83 SOS1 (0.33)
Hydrochloric Acid SCHEMBL31543358 0.81
Hydrochloric Acid SCHEMBL1994413 0.81 OPRM1 (0.33)
SCHEMBL91526 0.77

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 US disclosed
EP-4522612-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2025-03-19 EP disclosed
CN-119654322-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-18 CN disclosed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
US-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-09-30 US disclosed
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed