SCHEMBL4245329

SCHEMBL4245329

O=C(O)CC1(c2ccc(F)cc2)CCCC1

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.97
SLC6A3 Q01959 3/20 0.56
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CACNA1G O43497 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
SCHEMBL627571 0.96 HSD11B1 (0.90) HSD11B1SLC6A3SLC6A4SLC6A2MEN1
SCHEMBL16232160 0.93 HSD11B1 (0.83) HSD11B1SLC6A3MEN1KMT2A
SCHEMBL18111428 0.85 HSD11B1 (0.71) HSD11B1MEN1KMT2ACACNA1G
SCHEMBL17761311 0.84 HSD11B1 (0.71) HSD11B1SLC6A3SLC6A4SLC6A2CACNA1G
SCHEMBL977926 0.83 HSD11B1 (0.69) HSD11B1SLC6A3SLC6A4SLC6A2MEN1
SCHEMBL10695332 0.83 HSD11B1 (0.73) HSD11B1SLC6A3SLC6A4SLC6A2CACNA1G
SCHEMBL17761297 0.83 HSD11B1 (0.73) HSD11B1SLC6A3SLC6A4SLC6A2CACNA1G
SCHEMBL3633468 0.82 HSD11B1 (0.68) HSD11B1SLC6A3SLC6A4SLC6A2
SCHEMBL4239672 0.82 HSD11B1 (0.68) HSD11B1KMT2A
SCHEMBL5365797 0.81 HSD11B1 (0.72) HSD11B1SLC6A3SLC6A4SLC6A2MEN1

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 HSD11B1 1114/4885SLC6A3 2623/4885SLC6A4 3589/4885

“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.