SCHEMBL6756013

SCHEMBL6756013

NC(=O)C=C1CCc2c(F)cc(F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 1.00
MAOB P27338 1/20 1.00
LOX P28300 1/20 1.00
HTR5A P47898 3/20 0.34
ERN1 O75460 1/20 0.33
IDO1 P14902 1/20 0.31
TGM2 P21980 1/20 0.31
BTK Q06187 1/20 0.31
NOTUM Q6P988 2/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
PARP1 P09874 1/20 0.30
CTSL P07711 1/20 0.30

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
SCHEMBL6756010 1.00 MAOA (1.00) MAOAMAOBLOXHTR5AERN1
SCHEMBL6756007 1.00 MAOA (1.00) MAOAMAOBLOXHTR5AERN1
SCHEMBL7570211 0.85 MAOA (0.74) MAOAMAOBLOXHTR5AERN1
SCHEMBL7566326 0.85 MAOA (0.74) MAOAMAOBLOXHTR5AERN1
SCHEMBL7566321 0.85 MAOA (0.74) MAOAMAOBLOXHTR5AERN1
SCHEMBL6754715 0.84 MAOA (0.73) MAOAMAOBLOXHTR5AIDO1
SCHEMBL6754717 0.84 MAOA (0.73) MAOAMAOBLOXHTR5AIDO1
SCHEMBL6754718 0.84 MAOA (0.73) MAOAMAOBLOXHTR5AIDO1
SCHEMBL6757148 0.84 MAOA (0.73) MAOAMAOBLOXHTR5AIDO1
SCHEMBL6755979 0.84 MAOA (0.73) MAOAMAOBLOXBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699180-B1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS WELLCOME FOUND (GB) 2000-11-22 EP claimed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO claimed
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 EP disclosed
CN-104302358-B The assimilation compound of isoquinolin 1 and their therapeutical uses of 3 aryl 5 substitution 癌症研究协会:皇家癌症医院 2017-12-05 CN disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 US disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-20040116405-A1 Use of bicyclic esters or amides for the treatment of diseases responsive to enhanced potassium channel activity GLAXO GROUP LIMITED (GB) 2004-06-17 US disclosed
EP-1358150-A1 USE OF BICYCLIC ESTERS OR AMIDES FOR THE TREATMENT OF DISEASES RESPONSIVE TO ENHANCED POTASSIUM CHANNEL ACTIVITY GLAXO GROUP LIMITED (GB) 2003-11-05 EP disclosed
EP-0987248-B1 Amide derivatives and their therapeutic use WELLCOME FOUND (GB) 2002-09-04 EP disclosed
WO-2002062745-A1 USE OF BICYCLIC ESTERS OR AMIDES FOR THE TREATMENT OF DISEASES RESPONSIVE TO ENHANCED POTASSIUM CHANNEL ACTIVITY GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed
EP-0699180-B1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS WELLCOME FOUND (GB) 2000-11-22 EP disclosed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed
EP-0987248-A1 Amide derivatives and their therapeutic use THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-22 EP disclosed
US-5872118-A RELAXATION OF SKELETAL MUSCLE IN SPASTIC, HYPERTONIC AND HYPERKINETIC CONDITIONS GLAXO WELLCOME INC. (US) 1999-02-16 US disclosed
EP-0699180-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-06 EP disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 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 (2 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 MAOA 2401/4885MAOB 2998/4885LOX 3044/4885
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP1 MAOA 2212/4885MAOB 2883/4885LOX 2772/4885

“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.