SCHEMBL78043

SCHEMBL78043

c1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.79
POLB P06746 1/20 0.79
SLC6A3 Q01959 1/20 0.68
HTR1A P08908 1/20 0.65
DRD2 P14416 1/20 0.65
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ACHE P22303 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.56
CCR3 P51677 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL9539677 1.00 SIGMAR1 (0.79) SIGMAR1POLBSLC6A3HTR1ADRD2
Ethylene SCHEMBL28207535 0.96 SIGMAR1 (0.74) SIGMAR1POLBSLC6A3HTR1ADRD2
Methylamine SCHEMBL28040222 0.94 SIGMAR1 (0.72) SIGMAR1POLBSLC6A3HTR1ADRD2
Isothiocyanate SCHEMBL2892892 0.90 SIGMAR1 (0.66) SIGMAR1POLBSLC6A3HTR1ADRD2
SCHEMBL21465700 0.89 SIGMAR1 (0.65) SIGMAR1POLBSLC6A3HTR1ADRD2
SCHEMBL1711070 0.89 SIGMAR1 (1.00) SIGMAR1POLBKMT2AHTTCCR3
SCHEMBL27701997 0.89 SIGMAR1 (0.64) SIGMAR1POLBSLC6A3HTR1ADRD2
Sulfurous Acid SCHEMBL27938413 0.88 SIGMAR1 (0.64) SIGMAR1POLBSLC6A3HTR1ADRD2
SCHEMBL4425957 0.87 SIGMAR1 (0.90) SIGMAR1POLBKMT2AMEN1HTT
SCHEMBL13150782 0.85 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO claimed
US-20090163704-A1 Use of Acid Scavengers in Removal of Protons (Acidity) of the Reaction Mass During Chlorination of Sucrose-6-Acetate V.B. MEDICARE PRIVATE LIMITED (IN) 2009-06-25 US claimed
CN-101273050-A Use of acid scavengers in removal of protons (acidity) of the reaction mass during chlorination of sucrose-6- acetate PHARMED MEDICARE PVT LTD (IN) 2008-09-24 CN claimed
WO-2007054971-A2 USE OF ACID SCAVENGERS IN REMOVAL OF PROTONS (ACIDITY) OF THE REACTION MASS DURING CHLORINATION OF SUCROSE-6- ACETATE PHARMED MEDICARE PVT. LTD. (IN) 2007-05-18 WO claimed
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 US claimed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 EP claimed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 WO claimed
CN-116444380-B Method for realizing amino derivative alkylation by utilizing micro-flow field technology 南京工业大学 2024-09-17 CN disclosed
US-11857746-B2 Wound cleansing apparatus in-situ SMITH & NEPHEW PLC (GB) 2024-01-02 US disclosed
CN-114031477-B Method for reducing amide compounds into amine compounds by cobalt catalysis 浙江工业大学 2023-12-05 CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO disclosed
US-4666461-A Fuel treatment compositions THE LUBRIZOL CORPORATION (US) 1987-05-19 US disclosed
EP-0085510-B1 COMPOSITIONS FOR USE IN ALCOHOL AND ALCOHOL CONTAINING FUELS The Lubrizol Corporation (US) 1986-04-16 EP disclosed
EP-0085510-A2 Compositions for use in alcohol and alcohol containing fuels The Lubrizol Corporation (US) 1983-08-10 EP 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 (4 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SIGMAR1 4776/4885POLB 118/4885SLC6A3 4516/4885
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors DPEP1, DNPEP, PEPD SIGMAR1 4388/4885POLB 3661/4885SLC6A3 2442/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SIGMAR1 4776/4885POLB 118/4885SLC6A3 4516/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SIGMAR1 2940/4885POLB 2930/4885SLC6A3 153/4885

“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.