SCHEMBL717693

SCHEMBL717693

CCN(CC)CC#CCc1ccccc1C(O)(C(=O)O)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.58
CHRM4 P08173 6/20 0.58
CHRM1 P11229 6/20 0.58
CHRM3 P20309 6/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
KCNH2 Q12809 1/20 0.58
ABCB11 O95342 1/20 0.58
ESR1 P03372 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58

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
SCHEMBL15675855 0.84 KEAP1 (0.47) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL565123 0.80 KCNH2 (0.60) CHRM2CHRM4CHRM1CHRM3CYP2C19
Hydrochloric Acid SCHEMBL7649874 0.79 MEN1 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL8470404 0.75 CHRM2 (0.69) CHRM2CHRM4CHRM1CHRM3CYP2C19
Hydrochloric Acid SCHEMBL28961328 0.75 SLC6A2 (0.40) CHRM2CHRM4CHRM1CHRM3CYP2C19
Hydrochloric Acid SCHEMBL9474056 0.74 MEN1 (0.70) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL8523994 0.74 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3CYP2C19
Oxybutynin SCHEMBL2992 0.73 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3CYP2C19
Esoxybutynin SCHEMBL290373 0.73 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3CYP2C19
Aroxybutynin SCHEMBL25880 0.73 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3895705-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES University of Manitoba (CA) 2021-10-20 EP disclosed
EP-3082845-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES UNIV MANITOBA (CA) 2021-02-17 EP disclosed
US-20200030205-A1 METHODS FOR THE TREATMENT OF HYPERHIDROSIS ZINGER MENNI MENASHE (IL) 2020-01-30 US disclosed
US-20180369097-A1 METHODS FOR THE TREATMENT OF HYPERHIDROSIS ZINGER MENNI MENASHE (IL) 2018-12-27 US disclosed
US-10010494-B2 Methods for the treatment of hyperhidrosis ZINGER MENNI MENASHE (IL) 2018-07-03 US disclosed
US-20170027957-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-02 US disclosed
EP-3082845-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES University Of Manitoba (CA) 2016-10-26 EP disclosed
WO-2015089664-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES UNIVERSITY OF MANITOBA (CA) 2015-06-25 WO disclosed
EP-2585011-A2 INTRAVAGINAL DEVICES COMPRISING ANTICHOLINERGIC AGENTS, AND METHODS OF MAKING THEREOF Mahashabde, Anu (US) 2013-05-01 EP disclosed
EP-2585010-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH OVERACTIVE BLADDER Mahashabde, Anu (US) 2013-05-01 EP disclosed
WO-2011163358-A2 INTRAVAGINAL DEVICES COMPRISING ANTICHOLINERGIC AGENTS, AND METHODS OF MAKING THEREOF MAHASHABDE ANU (US) 2011-12-29 WO disclosed
WO-2011163356-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH OVERACTIVE BLADDER MAHASHABDE ANU (US) 2011-12-29 WO disclosed
WO-2011043942-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT MERCK SHARP & DOHME CORP. (US) 2011-04-14 WO disclosed
US-20110021542-A1 Use of a Combination of Udenafil and Alfuzosin or Oxybutynin for the Treatment of Overactive Bladder PELVIPHARM (FR) 2011-01-27 US disclosed
WO-2009151712-A2 SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES AUSPEX PHARMACEUTICALS. INC. (US) 2009-12-17 WO disclosed
EP-2106792-A1 Use of a combination of udenafil and alfuzosin or oxybutynin for the treatment of overactive bladder Pelvipharm (FR) 2009-10-07 EP disclosed
US-20090247628-A1 SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20080207737-A1 Methods for the Treatment of Hyperhidrosis ZINGER MENNI MENASHE 2008-08-28 US disclosed
EP-1951186-A2 METHODS FOR THE TREATMENT OF HYPERHIDROSIS Zinger, Menni Menashe (IL) 2008-08-06 EP disclosed
WO-2007046102-A2 METHODS FOR THE TREATMENT OF HYPERHIDROSIS ZINGER MENNI MENASHE (IL) 2007-04-26 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 (2 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-20090247628-A1 SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES CHRM3, CHRNG, CHRM5 CHRM2 5/4885CHRM4 4/4885CHRM1 8/4885
US-20170027957-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES PMP22, CHRNA7, CHRNB3 CHRM2 12/4885CHRM4 42/4885CHRM1 35/4885

“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.