SCHEMBL650850

SCHEMBL650850

C=CCN(CC=NO)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.38
TGM2 P21980 2/20 0.38
F13A1 P00488 1/20 0.38
TGM1 P22735 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CCR5 P51681 1/20 0.36

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
SCHEMBL6899637 1.00 HCAR2 (0.43) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL650849 1.00 HCAR2 (0.43) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL541750 0.90 HCAR2 (0.51) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL19216108 0.89 SIGMAR1 (0.44) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL651119 0.85 CCR6 (0.49) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL2324324 0.83 ALDH1A1 (0.63) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL15297836 0.83 HCAR2 (0.45) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL4690235 0.83 HCAR2 (0.47) HCAR2CCR6PAX8ALDH1A1MAPK1
SCHEMBL21573938 0.82 ALDH1A1 (0.47) HCAR2CCR6PAX8SIGMAR1ALDH1A1
SCHEMBL1517791 0.82 HCAR2 (0.46) HCAR2CCR6PAX8SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162888-B2 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2024-12-10 US disclosed
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
CN-107108657-B Tosylate salt of compound 伊莱利利公司 2021-10-08 CN disclosed
EP-3833661-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Valo Early Discovery, Inc. (US) 2021-06-16 EP disclosed
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed
EP-3665169-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2020-06-17 EP disclosed
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
EP-3250575-B1 TOSYLATE SALT OF N-[3-[(4AR,7AS)-2-AMINO-6-(5-FLUOROPYRIMIDIN-2-YL)-4,4A,5,7-TETRAHYDROPYRROLO[3,4-D][1,3]THIAZIN-7A-YL]-4-FLUORO-PHENYL]-5-METHOXY-PYRAZINE-2-CARBOXAMIDE. LILLY CO ELI (US) 2019-11-20 EP disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 US disclosed
US-20040242641-A1 (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent ABBOTT LABORATORIES 2004-12-02 US disclosed
US-20040242644-A1 (IS-5S)-3-(5,6-dichloro-3-pyridinyl-)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent ABBOTT LABORATORIES 2004-12-02 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 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 (7 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 HCAR2 1622/4885CCR6 4650/4885PAX8 2577/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 HCAR2 1622/4885CCR6 4650/4885PAX8 2577/4885
US-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 HCAR2 215/4885CCR6 716/4885PAX8 2902/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 HCAR2 1750/4885CCR6 1744/4885PAX8 2769/4885
US-12162888-B2 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 HCAR2 1622/4885CCR6 4650/4885PAX8 2577/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 HCAR2 1750/4885CCR6 1744/4885PAX8 2769/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 HCAR2 222/4885CCR6 1693/4885PAX8 3022/4885

“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.