SCHEMBL2168704

SCHEMBL2168704

CCCC(=O)Oc1ccc(CO)cc1C(CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.77
CHRM1 P11229 3/20 0.77
CHRM3 P20309 8/20 0.45
CHRM5 P08912 2/20 0.45
HRH1 P35367 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
CHRM4 P08173 1/20 0.45
KCNE1 P15382 1/20 0.45
PTGS1 P23219 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL5090344 1.00 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL8428930 0.95 CHRM2 (0.82) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2166550 0.93 CHRM2 (0.79) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2167077 0.93 CHRM2 (0.79) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL5702063 0.92 CHRM2 (0.72) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL5702161 0.92 CHRM2 (0.72) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL3686607 0.92 CHRM2 (0.80) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL16174328 0.92 CHRM2 (0.80) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL7555814 0.90 CHRM2 (0.82) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL3691757 0.90 CHRM2 (0.85) CHRM2CHRM1CHRM3CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US claimed
WO-2010071865-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
WO-2010018484-A1 NEW USES OF DIISOPROPYLAMINE DERIVATIVES PFIZER LIMITED (GB) 2010-02-18 WO claimed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 US claimed
EP-1824469-A4 A METHOD OF MODULATING B CELL FUNCTIONING NUON THERAPEUTICS PTY LTD (AU) 2008-07-30 EP claimed
US-7384980-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2008-06-10 US claimed
EP-1845967-A4 A METHOD OF MODULATING T CELL FUNCTIONING UNIV LELAND STANFORD JUNIOR (US) 2008-03-05 EP claimed
EP-1845967-A2 A METHOD OF MODULATING T CELL FUNCTIONING The Board of Trustees of Leland Stanford Junior University (US) 2007-10-24 EP claimed
EP-1824469-A1 A METHOD OF MODULATING B CELL FUNCTIONING Angiogen Pharmaceuticals Pty. Ltd (AU) 2007-08-29 EP claimed
WO-2006076580-A2 A METHOD OF MODULATING T CELL FUNCTIONING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-07-20 WO claimed
WO-2006053390-A1 A METHOD OF MODULATING B CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-05-26 WO claimed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 US claimed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 US claimed
EP-1254890-A1 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2002-11-06 EP claimed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 EP claimed
US-9309215-B2 Chiral intermediate, process for producing the same and its use in the manufacture of tolterodine, fesoterodine, or the active metabolite thereof UCB PHARMA GMBH (DE) 2016-04-12 US disclosed
US-20140228434-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF UCB PHARMA GMBH (DE) 2014-08-14 US disclosed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 US disclosed
EP-1254890-A1 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2002-11-06 EP disclosed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 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 (3 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 CHRM2 140/4885CHRM1 263/4885CHRM3 41/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 CHRM2 136/4885CHRM1 227/4885CHRM3 70/4885
US-20140228434-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF CYP1B1, NISCH, HSD17B7 CHRM2 108/4885CHRM1 133/4885CHRM3 107/4885

“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.