SCHEMBL4240229

SCHEMBL4240229

CC(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSPO P30536 10/20 1.00
OPRK1 P41145 2/20 0.50
ALB P02768 1/20 0.48

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
SCHEMBL30628137 1.00 TSPO (1.00) TSPOOPRK1ALB
SCHEMBL15256823 0.93 TSPO (0.87) TSPOOPRK1ALB
SCHEMBL7567968 0.88 TSPO (0.78) TSPOOPRK1ALB
SCHEMBL13697671 0.85 TSPO (0.74) TSPOOPRK1ALB
SCHEMBL22082611 0.82 TSPO (0.70) TSPOOPRK1ALB
SCHEMBL18116235 0.81 TSPO (0.68) TSPO
SCHEMBL14542063 0.80 TSPO (0.69) TSPOOPRK1
SCHEMBL14542053 0.78 TSPO (0.64) TSPOOPRK1ALB
SCHEMBL14542066 0.77 TSPO (0.62) TSPOOPRK1ALB
SCHEMBL7573859 0.76 TSPO (0.69) TSPOOPRK1ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020117099-A1 DIPEPTIDE LIGANDS OF TSPO THAT POSSESS NEUROPSYCHOTROPIC ACTIVITY Федеральное государственное бюджетное научное учреждение "Научно-исследовательский институт фармакологии имени В.В. Закусова" 2020-06-11 WO disclosed
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY 2010-11-04 US disclosed
US-7754884-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2010-07-13 US disclosed
US-20090234162-A1 Radioactive Halogen-Labeled Phenyloxyaniline Derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 US disclosed
US-20090142264-A1 18F-Labeled Phenoxyphenyl Nu-benzyl Alkanamid Derivatives for Positron Emission Tomography (PET) Imaging of Peripheral Benzodiazepine Receptor LANGSTROM BENGT 2009-06-04 US disclosed
US-20080293969-A1 18F-Labeled Daa Analogues and Method of Labeling These Analogues as Positron Emission Tomography (Pet) Tracers For Imaging Peripheral Benzodiazepine Receptors GE HEALTHCARE LIMITED (GB) 2008-11-27 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
WO-2007074383-A1 18F-LABELED PHENOXYPHENYL N-BENZYL ALKANAMID DERIVATIVES FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING OF PERIPHERAL BENZODIAZEPINE RECEPTOR GE HEALTHCARE LIMITED (GB) 2007-07-05 WO disclosed
EP-1250597-A2 IDENTIFICATION OF PERIPHERAL BENZODIAZEPINE RECEPTOR BINDING AGENTS MITOKOR (US) 2002-10-23 EP disclosed
US-20020039746-A1 Methods for identifying peripheral benzodiazepine receptor binding agents MITOKOR 2002-04-04 US disclosed
WO-2001051922-A2 IDENTIFICATION OF PERIPHERAL BENZODIAZEPINE RECEPTOR BINDING AGENTS MITOKOR (US) 2001-07-19 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 (6 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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 TSPO 1/4885OPRK1 34/4885ALB 2663/4885
US-20080293969-A1 18F-Labeled Daa Analogues and Method of Labeling These Analogues as Positron Emission Tomography (Pet) Tracers For Imaging Peripheral Benzodiazepine Receptors GABRA3, GABRE, GABRB3 TSPO 4/4885OPRK1 33/4885ALB 3506/4885
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING TSPO, MKI67, GABRA4 TSPO 1/4885OPRK1 48/4885ALB 1948/4885
US-20090142264-A1 18F-Labeled Phenoxyphenyl Nu-benzyl Alkanamid Derivatives for Positron Emission Tomography (PET) Imaging of Peripheral Benzodiazepine Receptor ALK, GABRA4, GABRB3 TSPO 44/4885OPRK1 54/4885ALB 2722/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 TSPO 1/4885OPRK1 48/4885ALB 1948/4885
US-20090234162-A1 Radioactive Halogen-Labeled Phenyloxyaniline Derivatives TSPO, PBRM1, PSEN1 TSPO 1/4885OPRK1 278/4885ALB 3921/4885

“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.