SCHEMBL6146090

SCHEMBL6146090

Cc1ccc2c(c1)C(c1ccccc1)CC2=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.56
ALDH2 P05091 1/20 0.56
MAOB P27338 6/20 0.54
CYP19A1 P11511 2/20 0.54
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
EEF2K O00418 1/20 0.46
GAA P10253 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.43
ELANE P08246 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
SCHEMBL6146093 1.00 KDM4E (0.59) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL12121778 1.00 KDM4E (0.59) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL15354256 0.87 ALDH1A1 (0.60) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL15354258 0.87 ALDH1A1 (0.60) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL15354259 0.87 ALDH1A1 (0.60) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL8920465 0.86 CYP19A1 (0.50) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL12121784 0.86 CYP19A1 (0.50) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL8886067 0.86 MAOB (0.57) KDM4EALDH1A1ALDH2MAOBSLC6A2
SCHEMBL12121790 0.82 MAOB (0.52) KDM4EALDH1A1ALDH2MAOBCYP19A1
SCHEMBL7645915 0.82 ALDH1A1 (0.44) KDM4EALDH1A1ALDH2MAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281952-A1 DEUTERIUM-ENRICHED TOLTERODINE PROTIA, LLC (US) 2011-11-17 US disclosed
US-20090062398-A1 DEUTERIUM-ENRICHED TOLTERODINE PROTIA, LLC (US) 2009-03-05 US disclosed
EP-1496045-A2 Process of preparing tolterodine and analogues thereof as well as intermediates prepared in the process Pharmacia AB (SE) 2005-01-12 EP disclosed
EP-1242361-B1 PROCESS OF PREPARING TOLTERODINE AND ANALOGUES THERE OF AS WELL AS INTERMEDIATES PREPARED IN THE PROCESS PHARMACIA AB (SE) 2004-11-10 EP disclosed
US-6790998-B2 SUCH AS 5-METHYL-3-PHENYL)-INDEN-1-ONE FOR ENANTIOSELECTIVE PREPARATION OF TOLTERODINE AND ANALOGUES/SALTS THEREOF PHARMACIA AB (SE) 2004-09-14 US disclosed
US-6689916-B2 TOLTERODINE AND ANALOGUES THEREOF, AS WELL AS TO NOVEL INTERMEDIATES PHARMACIA AB (SE) 2004-02-10 US disclosed
US-20030204114-A1 Useful for treating urinary incontinence; key step of present method is preparation of 3,4-dihydro-6-methyl-4-phenyl-2H-benzopyran-2-one in an enantiomerically enriched form by enantioselective reactions ANDERSSON PHER G (SE) 2003-10-30 US disclosed
US-20030191348-A1 Such as 5-methyl-3-phenyl)-inden-1-one for enantioselective preparation of tolterodine and analogues/salts thereof ANDERSSON PHER G (SE) 2003-10-09 US disclosed
US-6566537-B2 Tolterodine PHARMACIA AB (SE) 2003-05-20 US disclosed
US-20020019568-A1 Tolterodine ANDERSSON PHER G (SE) 2002-02-14 US disclosed
US-6310248-B2 ENANTIOSCLECTIVELY REDUCING THE CARBONYL FUNCTION IN OF COMPOUND; SUBJECTING TO SIGMATROPIC REARRANGEMENT TO FORM A CORRESPONDING ENANTIOMERICALLY ENRICHED COMPOUND; BAEYER-VILLIGER OXIDATION; SALT FORMATION PHARMACIA AB (SE) 2001-10-30 US disclosed
US-20010016669-A1 Novel process and intermediates PHARMACIA AB (SE) 2001-08-23 US 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 (6 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-20090062398-A1 DEUTERIUM-ENRICHED TOLTERODINE SLC6A3, AVPR2, TBCD KDM4E 4196/4885ALDH1A1 3032/4885ALDH2 3195/4885
US-20010016669-A1 Novel process and intermediates CYP1B1, CYP4F3, CYP4B1 KDM4E 1592/4885ALDH1A1 993/4885ALDH2 1580/4885
US-20020019568-A1 Tolterodine CYP1B1, THRB, AVPR1B KDM4E 1997/4885ALDH1A1 857/4885ALDH2 1707/4885
US-20110281952-A1 DEUTERIUM-ENRICHED TOLTERODINE SLC6A3, AVPR2, TBCD KDM4E 4196/4885ALDH1A1 3032/4885ALDH2 3195/4885
US-20030204114-A1 Useful for treating urinary incontinence; key step of present method is preparation of 3,4-dihydro-6-methyl-4-phenyl-2H-benzopyran-2-one in an enantiomerically enriched form by enantioselective reactions AVPR2, AVPR1B, AVPR1A KDM4E 504/4885ALDH1A1 671/4885ALDH2 807/4885
US-20030191348-A1 Such as 5-methyl-3-phenyl)-inden-1-one for enantioselective preparation of tolterodine and analogues/salts thereof CYP1B1, CYP4B1, THRB KDM4E 2073/4885ALDH1A1 543/4885ALDH2 2199/4885

“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.