SCHEMBL3364418

SCHEMBL3364418

CCNCC#CCOC(=O)C(O)c1ccccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 2/20 0.36
SLC6A2 P23975 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL8475476 0.89 PTGDR2 (0.36) PTGDR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL8473282 0.87 PTGDR2 (0.35) PTGDR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL7914136 0.86 PTGDR2 (0.40) PTGDR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL3365274 0.85 CHRM2 (0.53) PTGDR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL7913181 0.84 ADRA2A (0.43) PTGDR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL8472037 0.84 PTGDR2 (0.39) PTGDR2NAAATSHR
SCHEMBL8578195 0.84 CYP3A4 (0.43) PTGDR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL290175 0.82 TSHR (0.45) PTGDR2CYP2D6CYP1A2CYP2C9KCNH2
SCHEMBL25188997 0.81 SLC6A2 (0.43) PTGDR2CYP2D6CYP1A2CYP2C9KCNH2
SCHEMBL11467456 0.79 PTGDR2 (0.43) PTGDR2SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455776-A4 A NON-ARRHYTHMOGENIC METABOLITE OF OXYBUTYNIN BRIDGE PHARMA INC (US) 2006-05-17 EP claimed
EP-1455776-A1 A NON-ARRHYTHMOGENIC METABOLITE OF OXYBUTYNIN Bridge Pharma, Inc. (US) 2004-09-15 EP claimed
WO-2003066042-A1 A NON-ARRHYTHMOGENIC METABOLITE OF OXYBUTYNIN BRIDGE PHARMA, INC. (US) 2003-08-14 WO claimed
US-6432446-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF 4-ETHYLAMINO-2-BUTYNYL CYCLOHEXYL-PHENYLGLYCOLATE AND/ OR ONE OR MORE OPTICALLY ACTIVE ISOMERS, AND SALTS TO TREAT DISORDERS INVOLVING THE URETHROGENITAL TRACT BRIDGE PHARMA, INC. 2002-08-13 US claimed
US-20020002201-A1 Non-arrhythmogenic metabolite of oxybutynin BRIDGE PHARMA, INC. 2002-01-03 US claimed
US-20200276146-A1 METHODS FOR THE TREATMENT OF SIALORRHEA NeuRx Pharmaceuticals LLC 2020-09-03 US disclosed
US-10610507-B2 Methods for the treatment of sialorrhea NeuRx Pharmaceuticals LLC (US) 2020-04-07 US disclosed
US-20170281585-A1 METHODS FOR THE TREATMENT OF SIALORRHEA NeuRx Pharmaceuticals LLC (US) 2017-10-05 US disclosed
US-20160151321-A1 METHODS FOR THE TREATMENT OF SIALORRHEA NeuRx Pharmaceuticals LLC 2016-06-02 US disclosed
WO-2014078059-A1 METHODS FOR THE TREATMENT OF SIALORRHEA NeuRx Pharmaceuticals LLC (US) 2014-05-22 WO disclosed
US-20140135392-A1 METHODS FOR THE TREATMENT OF SIALORRHEA NeuRx Pharmaceuticals LLC (US) 2014-05-15 US disclosed
EP-1286591-B1 TREATING SMOOTH MUSCLE HYPERACTIVITY WITH (R)-OXYBUTYNIN AND (R)- DESETHYLOXYBUTYNIN WATSON PHARMACEUTICALS INC (US) 2010-10-06 EP disclosed
EP-1455776-A1 A NON-ARRHYTHMOGENIC METABOLITE OF OXYBUTYNIN Bridge Pharma, Inc. (US) 2004-09-15 EP disclosed
WO-2003066042-A1 A NON-ARRHYTHMOGENIC METABOLITE OF OXYBUTYNIN BRIDGE PHARMA, INC. (US) 2003-08-14 WO disclosed
EP-1286591-A1 TREATING SMOOTH MUSCLE HYPERACTIVITY WITH (R)-OXYBUTYNIN AND (R)- DESETHYLOXYBUTYNIN Watson Pharmaceuticals, Inc. (US) 2003-03-05 EP disclosed
US-6432446-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF 4-ETHYLAMINO-2-BUTYNYL CYCLOHEXYL-PHENYLGLYCOLATE AND/ OR ONE OR MORE OPTICALLY ACTIVE ISOMERS, AND SALTS TO TREAT DISORDERS INVOLVING THE URETHROGENITAL TRACT BRIDGE PHARMA, INC. 2002-08-13 US disclosed
US-20020002201-A1 Non-arrhythmogenic metabolite of oxybutynin BRIDGE PHARMA, INC. 2002-01-03 US disclosed
WO-2001093683-A1 TREATING SMOOTH MUSCLE HYPERACTIVITY WITH (R)-OXYBUTYNIN AND (R)- DESETHYLOXYBUTYNIN WATSON PHARMACEUTICALS, INC. (US) 2001-12-13 WO disclosed
US-6123961-A WITHOUT CARDIOVASCULAR DEPRESSING ACTIVITY SIDE EFFECT, BY ADMINISTERING R(-)-4-DIETHYLAMINO-2-BUTYNYL CYCLOHEXYLPHENYLGLYCOLATE OR SALT, FREE OF ITS CORRESPONDING S-ENANTIOMER BRIDGE PHARMA, INC. (US) 2000-09-26 US disclosed
US-6123961-A WITHOUT CARDIOVASCULAR DEPRESSING ACTIVITY SIDE EFFECT, BY ADMINISTERING R(-)-4-DIETHYLAMINO-2-BUTYNYL CYCLOHEXYLPHENYLGLYCOLATE OR SALT, FREE OF ITS CORRESPONDING S-ENANTIOMER BRIDGE PHARMA, INC. (US) 2000-09-26 US 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-20020002201-A1 Non-arrhythmogenic metabolite of oxybutynin TNNT2, TNNC1, CYP11B1 PTGDR2 1212/4885CYP2D6 44/4885CYP2C19 130/4885

“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.