SCHEMBL717692

SCHEMBL717692

CCN(CC)CC#CCC1(C(O)(C(=O)O)c2ccccc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM3 P20309 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
NFKB1 P19838 2/20 0.49
PKM P14618 1/20 0.49
THPO P40225 1/20 0.49
KCNH2 Q12809 1/20 0.49
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL15675854 0.83 MEN1 (0.37) CHRM2CHRM1CYP2C19CYP2D6CHRM4
SCHEMBL9617796 0.76 ALDH1A1 (0.35) CYP3A4ADORA3MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL6000655 0.75 MEN1 (0.34) ADORA3MEN1KMT2APMP22RECQL
SCHEMBL17784420 0.71 CTSK (0.31) ADRA2AADORA3LMNA
SCHEMBL6577796 0.71 LMNA (0.51) CHRM2CHRM1CYP2C19CYP2D6CHRM4
SCHEMBL8050217 0.70 CETP (0.42) OPRM1GAA
SCHEMBL6664270 0.70 HSD11B1 (0.38) CHRM2CHRM1CYP2C19CYP2D6CHRM4
SCHEMBL18428687 0.68 CHRM2 (0.40) CHRM2CHRM1CYP2C19CYP2D6CHRM4
SCHEMBL8470404 0.67 CHRM2 (0.69) CHRM2CHRM1CYP2C19CYP2D6CHRM4
Hydrochloric Acid SCHEMBL9474056 0.67 MEN1 (0.70) CHRM2CHRM1CYP2C19CYP2D6CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2585010-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH OVERACTIVE BLADDER Mahashabde, Anu (US) 2013-05-01 EP disclosed
US-20120289568-A1 COMBINATIONS OF OXYBUTYNIN AND SALIVARY STIMULANTS FOR THE TREATMENT OF OVERACTIVE BLADDER THERAVIDA, INC. (US) 2012-11-15 US disclosed
WO-2012154779-A1 COMBINATIONS OF OXYBUTYNIN AND SALIVARY STIMULANTS FOR THE TREATMENT OF OVERACTIVE BLADDER THERAVIDA. INC. (US) 2012-11-15 WO disclosed
US-20120289564-A1 COMBINATIONS OF OXYBUTYNIN AND SALIVARY STIMULANTS FOR THE TREATMENT OF OVERACTIVE BLADDER THERAVIDA, INC. (US) 2012-11-15 US disclosed
EP-2485595-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT Merck Sharp & Dohme Corp. (US) 2012-08-15 EP disclosed
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT MERCK SHARP & DOHME CORPORATION (US) 2012-08-09 US disclosed
US-20120107385-A1 METHOD OF TREATING CONDITIONS ASSOCIATED WITH OVERACTIVE BLADDER TEVA WOMEN'S HEALTH, INC. 2012-05-03 US disclosed
US-20120053534-A1 INTRAVAGINAL DEVICES COMPRISING ANTICHOLINERGIC AGENTS, AND METHODS OF MAKING THEREOF TEVA WOMEN'S HEALTH, INC. 2012-03-01 US 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
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-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-20120107385-A1 METHOD OF TREATING CONDITIONS ASSOCIATED WITH OVERACTIVE BLADDER ACHE, MMP1, CHRM3 CHRM2 5/4885CHRM1 19/4885CYP2C19 1211/4885
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT ADRB2, ADRB3, ADRA2A CHRM2 7/4885CHRM1 12/4885CYP2C19 1347/4885

“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.