SCHEMBL4249915

SCHEMBL4249915

O=C(O)CC(c1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GABBR2 O75899 3/20 0.49
GABBR1 Q9UBS5 3/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD3 P35462 1/20 0.49
BLM P54132 1/20 0.49
CYP1A2 P05177 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL6914052 0.93 FFAR1 (0.69) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL6915959 0.93 FFAR1 (0.69) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL20902118 0.86 FFAR1 (0.56) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL9153276 0.84 FFAR1 (0.60) FFAR1MEN1KMT2ALMNACYP2C19
SCHEMBL22088139 0.84 FFAR1 (0.54) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL8007377 0.83 FFAR1 (0.69) FFAR1MEN1KMT2ALMNACYP2C19
SCHEMBL18603480 0.82 FFAR1 (0.55) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL18603481 0.82 FFAR1 (0.55) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL17086508 0.82 FFAR1 (0.55) FFAR1MEN1KMT2AGABBR2GABBR1
SCHEMBL27374116 0.81 FFAR1 (0.57) FFAR1MEN1KMT2ACYP2D6CYP3A4

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 FFAR1 86/4885MEN1 3203/4885KMT2A 1976/4885

“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.