SCHEMBL2062415

SCHEMBL2062415

COC(=O)C(O)c1ccccc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
SLC6A3 Q01959 5/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
DHFR P00374 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1222346 1.00 PTGDR2 (0.41) PTGDR2SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL2062805 1.00 PTGDR2 (0.41) PTGDR2SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL11467456 0.98 PTGDR2 (0.43) PTGDR2SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL1471858 0.87 TSHR (0.36) PTGDR2SLC6A3TSHR
SCHEMBL25188997 0.85 SLC6A2 (0.43) PTGDR2SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL290175 0.84 TSHR (0.45) PTGDR2SLC6A3SLC6A2SLC6A4TSHR
Bromide SCHEMBL17076644 0.82 TSHR (0.35) SLC6A3SLC6A2SLC6A4DHFRTSHR
Bromide SCHEMBL17076627 0.82 TSHR (0.35) SLC6A3SLC6A2SLC6A4DHFRTSHR
Bromide SCHEMBL17076628 0.82 TSHR (0.35) SLC6A3SLC6A2SLC6A4DHFRTSHR
SCHEMBL28336946 0.81 PTGDR2 (0.43) PTGDR2SLC6A3SLC6A2SLC6A4TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-215554347-U Simple and easy partial shipment device of cyclopentyl methyl mandelate 天津佶品佳化工科技有限公司 2022-01-18 CN claimed
CN-215554347-U Simple and easy partial shipment device of cyclopentyl methyl mandelate 天津佶品佳化工科技有限公司 2022-01-18 CN disclosed
CN-215554347-U Simple and easy partial shipment device of cyclopentyl methyl mandelate 天津佶品佳化工科技有限公司 2022-01-18 CN disclosed
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8568699-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2013-10-29 US disclosed
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2012-07-12 US disclosed
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR LABORATORIES, INC. 2012-06-07 US disclosed
US-8147809-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. 2012-04-03 US disclosed
US-8071639-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2011-12-06 US disclosed
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2009-10-22 US disclosed
US-20080242651-A1 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-10-02 US disclosed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US disclosed
EP-1957451-A1 SOFT ANTICHOLINERGIC ZWITTERIONS Bodor, Nicholas S. (US) 2008-08-20 EP 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-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 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
WO-2007059021-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR NICHOLAS S (US) 2007-05-24 WO disclosed
EP-0012071-A1 Azoniaspiro derivatives, process for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1980-06-11 EP 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 (6 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 553/4885SLC6A3 578/4885SLC6A2 528/4885
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 PTGDR2 553/4885SLC6A3 578/4885SLC6A2 528/4885
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS CHRM2, CHRM1, CHRM3 PTGDR2 772/4885SLC6A3 160/4885SLC6A2 229/4885
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, ADRB2, ADRB1 PTGDR2 147/4885SLC6A3 1441/4885SLC6A2 1494/4885
US-20080242651-A1 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, CHRM1, CHRM3 PTGDR2 281/4885SLC6A3 1327/4885SLC6A2 1537/4885
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 256/4885SLC6A3 1391/4885SLC6A2 2232/4885

“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.