SCHEMBL4243548

SCHEMBL4243548

N#CC(c1cccc(Br)c1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.56
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL7236494 0.98 SLC6A3 (0.57) SLC6A3MBTD1L3MBTL3IDO1TDO2
SCHEMBL7840990 0.81 SLC6A3 (0.56) SLC6A3CTSSCTSK
SCHEMBL961019 0.79 SLC6A3 (0.57) SLC6A3IDO1CHRNB4CHRNA3
SCHEMBL7236223 0.78 SLC6A3 (0.59) SLC6A3CHRNB4CHRNA3
SCHEMBL13124077 0.78 SLC6A3 (0.58) SLC6A3IDO1CHRNB4CHRNA3
SCHEMBL959762 0.78 SLC6A3 (0.58) SLC6A3IDO1CHRNB4CHRNA3
SCHEMBL27305725 0.77 SLC6A3 (0.52) SLC6A3IDO1
SCHEMBL7657764 0.77 SLC6A3 (0.52) SLC6A3
SCHEMBL26144984 0.76 SLC6A3 (0.51) SLC6A3L3MBTL3
SCHEMBL961750 0.75 SLC6A3 (0.53) SLC6A3IDO1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101490003-A New alkyl esters of cyclic amino alcohols with muscarinic m3 receptor antagonist activity, useful for treating e.g. chronic bronchial obstruction, asthma and overactive bladder ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
EP-2013172-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 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 (1 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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 SLC6A3 2623/4885MBTD1 1771/4885L3MBTL3 2967/4885

“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.