SCHEMBL4604388

SCHEMBL4604388

CCN(CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1)CCCl

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.86
CHRM1 P11229 8/20 0.86
CHRM4 P08173 6/20 0.86
CHRM3 P20309 6/20 0.86
KCNH2 Q12809 3/20 0.86
CYP2C19 P33261 2/20 0.86
SLC6A3 Q01959 2/20 0.86
CYP3A4 P08684 2/20 0.86
CYP1A2 P05177 1/20 0.86
CYP2D6 P10635 1/20 0.86
CYP2C9 P11712 1/20 0.86
PKM P14618 1/20 0.86
NFKB1 P19838 1/20 0.86
THPO P40225 1/20 0.86
ABCB11 O95342 1/20 0.86
ESR1 P03372 1/20 0.86
CHRM5 P08912 1/20 0.86
ADRA2A P08913 1/20 0.86
ADORA3 P0DMS8 1/20 0.86
TBXA2R P21731 1/20 0.86

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
SCHEMBL26032 1.00 CHRM2 (0.86) CHRM2CHRM1CHRM4CHRM3KCNH2
Propane SCHEMBL16496189 0.99 CHRM2 (0.85) CHRM2CHRM1CHRM4CHRM3KCNH2
Esoxybutynin SCHEMBL290373 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Aroxybutynin SCHEMBL25880 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL2992 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL1560964 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL25751 0.92 MEN1 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL8019436 0.92 MEN1 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL19816026 0.92 CHRM2 (0.98) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL7557853 0.92 CHRM2 (0.98) CHRM2CHRM1CHRM4CHRM3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915992-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE Pharmacia Corporation (US) 2008-04-30 EP claimed
WO-2007072503-A2 COMBINATIONS FOR MANAGING INFLAMMATION AND ASSOCIATED DISORDERS PANACEA BIOTEC LTD. (IN) 2007-06-28 WO claimed
US-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US claimed
EP-1476146-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE Pharmacia Corporation (US) 2004-11-17 EP claimed
US-20030191172-A1 Method of using cyclooxygenase inhibitors and antimuscarinic agents VERSI EBRAHIM (US) 2003-10-09 US claimed
WO-2003070233-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE PHARMACIA CORPORATION (US) 2003-08-28 WO claimed
CN-104370760-A Method for simulated moving bed chromatographic resolution of oxybutynin chloride enantiomers JIANGSU HANBON SCI & TECH CO 2015-02-25 CN disclosed
EP-1915992-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE Pharmacia Corporation (US) 2008-04-30 EP disclosed
EP-1804778-A1 USE OF A BETA-3 AGONIST FOR TREATING COMPLAINTS OF THE PROSTATE AND THE LOWER UROGENITAL TRACT Boehringer Ingelheim International GmbH (DE) 2007-07-11 EP disclosed
WO-2007036543-A1 BETA-3-AGONIST USE FOR TREATING KIDNEY AND BLADDER TROUBLES OF A PATIENT WITH SPINAL CORD DAMAGES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints MICHEL MARTIN C 2007-04-05 US disclosed
EP-1769792-A1 Use of a beta-3 adrenoceptor agonist for the treatment of renal and bladder problems Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2007-04-04 EP disclosed
WO-2006042679-A1 USE OF A BETA-3 AGONIST FOR TREATING COMPLAINTS OF THE PROSTATE AND THE LOWER UROGENITAL TRACT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-27 WO disclosed
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 US disclosed
US-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
EP-1567149-A2 PHARMACEUTICAL COMPOSITION COMPRISING BETA-3-ADRENOCEPTOR AGONISTS AND ANTIMUSCARINIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-31 EP disclosed
WO-2004047838-A2 PHARMACEUTICAL COMPOSITION COMPRISING BETA-3-ADRENOCEPTOR AGONISTS AND ANTIMUSCARINIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-06-10 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-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents ADRB3, ADRB2, ADRB1 CHRM2 17/4885CHRM1 33/4885CHRM4 29/4885
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract ADRB3, ADRB2, ADRB1 CHRM2 93/4885CHRM1 199/4885CHRM4 148/4885
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints ADRB3, ADRB2, ADRB1 CHRM2 45/4885CHRM1 68/4885CHRM4 85/4885
US-20030191172-A1 Method of using cyclooxygenase inhibitors and antimuscarinic agents PTGS2, PTGES2, PTGS1 CHRM2 7/4885CHRM1 26/4885CHRM4 34/4885

“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.