SCHEMBL4249913

SCHEMBL4249913

CC(C(=O)O)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.58
SLC6A3 Q01959 10/20 0.58
HDAC4 P56524 1/20 0.49
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
SLC6A2 P23975 4/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
CCR2 P41597 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL14899045 0.84 AKR1C1 (0.48) SLC6A4SLC6A3HDAC4SLC6A2ALDH1A1
SCHEMBL27799884 0.81 SLC6A4 (0.50) SLC6A4SLC6A3HDAC4CYP3A4ALOX15
SCHEMBL16341900 0.80 SLC6A4 (0.37) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL3542306 0.79 SLC6A4 (0.40) SLC6A4SLC6A3HDAC4SLC6A2
SCHEMBL13332852 0.78 SLC6A4 (0.70) SLC6A4SLC6A3HDAC4CYP3A4ALOX15
SCHEMBL13755348 0.77 SLC6A4 (0.73) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL16341922 0.76 OPRM1 (0.38) SLC6A4SLC6A3SLC6A2OPRK1MAPT
SCHEMBL3634353 0.76 SLC6A4 (0.46) SLC6A4SLC6A3HDAC4CYP3A4ALOX15
SCHEMBL13755345 0.74 SLC6A4 (0.65) SLC6A4SLC6A3HDAC4CYP3A4ALOX15
SCHEMBL27613821 0.74 DRD2 (0.51) SLC6A4SLC6A3HDAC4CYP3A4ALOX15

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 3 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
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

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 SLC6A4 3589/4885SLC6A3 2623/4885HDAC4 4076/4885

“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.