SCHEMBL4238798

SCHEMBL4238798

O=C(c1ccc(Cl)s1)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.52
DAO P14920 1/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
GSK3B P49841 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
Hydrochloric Acid SCHEMBL224845 0.83 MEN1 (0.47) F2DAOALDH1A1HPGDGSK3B
SCHEMBL23079137 0.78 DAO (0.52) DAOALDH1A1HPGDKMT2AGAA
SCHEMBL9978295 0.74 HPGD (0.58) DAOALDH1A1HPGDGSK3BSMN1; SMN2
SCHEMBL17253278 0.73 DAO (0.55) DAOALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL22870390 0.73 CES2 (0.57) DAOALDH1A1HPGDGSK3BSMN1; SMN2
Tert-Butyl Formate SCHEMBL27758361 0.73 MEN1 (0.39) F2DAOALDH1A1HPGDGSK3B
SCHEMBL226425 0.73 STS (0.54) ALDH1A1HPGDKMT2ARAB9AHTT
SCHEMBL9053796 0.73 ALDH1A1 (0.52) DAOALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL23507237 0.73 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL21926856 0.72 GLA (0.52) ALDH1A1HPGDKMT2AGAAMEN1

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 6 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
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 F2 1316/4885DAO 449/4885ALDH1A1 581/4885

“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.