SCHEMBL2166331

SCHEMBL2166331

CC(=O)OCc1ccc(OC(=O)C(C)C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.81
CHRM1 P11229 3/20 0.81
CHRM3 P20309 10/20 0.45
MAPT P10636 4/20 0.45
CHRM5 P08912 2/20 0.45
HRH1 P35367 2/20 0.45
ADRA1A P35348 2/20 0.45
LMNA P02545 2/20 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
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
SCHEMBL2166329 1.00 CHRM2 (0.81) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL723471 0.95 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL723472 0.95 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL3690034 0.95 CHRM2 (0.72) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL13980090 0.95 CHRM2 (0.72) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL14838156 0.93 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL2167849 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL2168850 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM3MAPTCHRM5
Fumaric Acid SCHEMBL16341383 0.90 CHRM2 (0.75) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL28350442 0.90 CHRM2 (0.75) CHRM2CHRM1CHRM3MAPTCHRM5

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
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
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP claimed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO claimed
EP-0957073-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 1999-11-17 EP claimed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 US disclosed
US-7985772-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2011-07-26 US disclosed
US-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US disclosed
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES UCB PHARMA GMBH (DE) 2010-10-07 US disclosed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 US disclosed
US-7384980-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2008-06-10 US disclosed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 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
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed
EP-0957073-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 1999-11-17 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-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 CHRM2 140/4885CHRM1 263/4885CHRM3 41/4885

“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.