SCHEMBL2167563

SCHEMBL2167563

COc1ccc(C(=O)Oc2ccc(CO)cc2C(CCN(C(C)C)C(C)C)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.72
CHRM1 P11229 3/20 0.72
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
MCHR1 Q99705 2/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
CHRM3 P20309 4/20 0.42
CHRM5 P08912 2/20 0.42
HRH1 P35367 2/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL7758391 1.00 CHRM2 (0.72) CHRM2CHRM1MAPTALDH1A1KMT2A
SCHEMBL27506396 0.94 CHRM1 (0.63) CHRM2CHRM1MAPTALDH1A1KMT2A
SCHEMBL2168552 0.92 CHRM2 (0.80) CHRM2CHRM1MAPTALDH1A1KMT2A
SCHEMBL2167951 0.92 CHRM2 (0.80) CHRM2CHRM1MAPTALDH1A1KMT2A
SCHEMBL2167208 0.90 CHRM2 (0.74) CHRM2CHRM1MAPTLMNAMCHR1
Hydrochloric Acid SCHEMBL6473184 0.90 CHRM2 (0.80) CHRM2CHRM1MAPTALDH1A1KMT2A
SCHEMBL2168535 0.89 CHRM2 (0.73) CHRM2CHRM1MAPTKMT2ALMNA
SCHEMBL6480309 0.89 CHRM2 (0.67) CHRM2CHRM1MAPTLMNACHRM3
Hydrochloric Acid SCHEMBL6474425 0.89 CHRM2 (0.67) CHRM2CHRM1MAPTALDH1A1KMT2A
SCHEMBL2167430 0.89 CHRM2 (0.72) CHRM2CHRM1MAPTALDH1A1LMNA

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 32 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
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-8742140-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) 2014-06-03 US disclosed
EP-2027103-B1 NEW 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) 2014-02-26 EP disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 US disclosed
US-20110245338-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) 2011-10-06 US disclosed
US-7985873-B2 Synthesis of phenolic esters of hydroxymethyl phenols UCB PHARMA GMBH (DE) 2011-07-26 US disclosed
WO-2007140986-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2007-12-13 WO disclosed
US-7230030-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2007-06-12 US disclosed
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2006-11-30 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

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-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 CHRM2 136/4885CHRM1 227/4885MAPT 1725/4885
US-20110245338-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 133/4885MAPT 2393/4885
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 CHRM2 136/4885CHRM1 227/4885MAPT 1725/4885
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 133/4885MAPT 2393/4885

“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.