SCHEMBL1220341

SCHEMBL1220341

Fc1ncccc1OC[C@@H]1CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
CHRNA3 P32297 3/20 0.57
CHRNB4 P30926 2/20 0.57
CHRNA7 P36544 2/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
CHRNB1 P11230 1/20 0.54
CHRND Q07001 1/20 0.54

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
SCHEMBL8552509 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1220344 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL12375141 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7411707 0.98 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7412690 0.98 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7472810 0.98 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL15481770 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL21845171 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL27083284 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL21806836 0.88 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA3CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
EP-2841402-B1 LABELLED QUINOXALINE DERIVATIVES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-11-30 EP disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 US disclosed
US-9029557-B2 Labeled A4B2 ligands and methods therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-12 US disclosed
US-20150079000-A1 Labelled Quinoxaline Derivatives as Multimodal Radiopharmaceuticals and Their Precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-03-19 US disclosed
US-20140050663-A1 Labeled A4B2 Ligands and Methods Therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-20 US disclosed
EP-2657213-A1 Labelled quinoxaline derivatives as multimodal radiopharmaceuticals and their precursors Institut National de la Santé et de la Recherche Medicale (FR) 2013-10-30 EP disclosed
US-8378109-B2 Labeled ALPHA4BETA2 ligands and methods therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-19 US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 US disclosed
WO-2010018218-A2 IMPROVED FLUORIDATION OF IODONIUM SALTS GE HEALTHCARE LIMITED (GB) 2010-02-18 WO disclosed
US-7642373-B2 Forming for example [18F]-dopamine or [18F]-uracil via reaction of iodonium salt precursor, where use of free radical scavenger improves yield of aryl fluoride GE HEALTHCARE LIMITED (GB) 2010-01-05 US disclosed
US-20090297443-A1 Labeled ALPHA4BETA2 Ligands and Methods Therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-03 US disclosed
EP-2119690-A1 Radiolabelled MMP selective compounds Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2009-11-18 EP disclosed
EP-2085390-A1 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-05 EP disclosed
EP-1697279-B1 RADICAL TRAP IN FLUORIDATION OF IODINIUM SALT GE HEALTHCARE LTD (GB) 2008-09-24 EP disclosed
EP-1193253-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORP (JP) 2008-06-25 EP disclosed
WO-2006086068-A1 LABELED ALPHA-4-BETA-2 LIGANDS AND METHODS THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-17 WO disclosed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 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 (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-20150079000-A1 Labelled Quinoxaline Derivatives as Multimodal Radiopharmaceuticals and Their Precursors HRH3, SSTR3, MC3R CHRNB2 1038/4885CHRNA4 2153/4885CHRNA3 553/4885
US-20140050663-A1 Labeled A4B2 Ligands and Methods Therefor CHRNB1, CHRNB4, CHRNB2 CHRNB2 3/4885CHRNA4 7/4885CHRNA3 17/4885
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 CHRNB2 664/4885CHRNA4 1468/4885CHRNA3 925/4885
US-20090297443-A1 Labeled ALPHA4BETA2 Ligands and Methods Therefor CHRNE, CHRNB1, CHRNB4 CHRNB2 4/4885CHRNA4 6/4885CHRNA3 13/4885

“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.