SCHEMBL2062407

SCHEMBL2062407

O=[C]C(O)c1ccccc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
PTGS2 P35354 1/20 0.38
ADRA2A P08913 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTPN5 P54829 4/20 0.34
PTPN1 P18031 2/20 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
SCHEMBL2062913 1.00 PTGDR2 (0.39) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL198458 0.81 TSHR (0.40) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL27923133 0.81 TSHR (0.40) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL11663955 0.77 PTGDR2 (0.38) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL7496181 0.77 ADRA2A (0.40) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL24469756 0.76 PTGDR2 (0.39) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL2062720 0.76 PTGDR2 (0.42) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL2062948 0.76 PTGDR2 (0.45) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL418663 0.76 PTGDR2 (0.45) PTGDR2PTGS2ADRA2AUSP2CYP1A2
SCHEMBL415803 0.76 PTGDR2 (0.45) PTGDR2PTGS2ADRA2AUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2012-07-12 US disclosed
US-8147809-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. 2012-04-03 US disclosed
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2009-10-22 US disclosed
US-7576210-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-08-18 US disclosed
US-20090075954-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-03-19 US disclosed
EP-1948596-A2 SOFT ANTICHOLINERGIC ESTERS Bodor, Nicholas S. (US) 2008-07-30 EP disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 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 (4 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-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 PTGDR2 553/4885PTGS2 2680/4885ADRA2A 30/4885
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 PTGDR2 553/4885PTGS2 2680/4885ADRA2A 30/4885
US-20090075954-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate CHRNE, CHRM1, ADRB1 PTGDR2 294/4885PTGS2 751/4885ADRA2A 59/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 PTGDR2 256/4885PTGS2 1348/4885ADRA2A 19/4885

“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.