SCHEMBL2853537

SCHEMBL2853537

Cc1ccc(OC(=O)c2ccccc2)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.62
CHRM1 P11229 3/20 0.62
CHRM3 P20309 3/20 0.62
CHRM5 P08912 2/20 0.62
HRH1 P35367 2/20 0.62
LMNA P02545 1/20 0.62
ESR1 P03372 1/20 0.62
CHRM4 P08173 1/20 0.62
MAPT P10636 1/20 0.62
KCNE1 P15382 1/20 0.62
PTGS1 P23219 1/20 0.62
HRH2 P25021 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRK1 P41145 1/20 0.62
KCNQ1 P51787 1/20 0.62
KCNH2 Q12809 1/20 0.62
CACNA1C Q13936 1/20 0.62
SCN5A Q14524 1/20 0.62

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
SCHEMBL574530 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL4879639 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
Hydrochloric Acid SCHEMBL4771342 0.90 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2167208 0.89 CHRM2 (0.74) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2168552 0.88 CHRM2 (0.80) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2167951 0.88 CHRM2 (0.80) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL13175653 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL725535 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL14709412 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL222314 0.87 CHRM2 (0.62) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101980999-A Acid salts of tolterodine with effective stability for transdermal drug delivery systems SK CHEMICALS CO LTD 2011-02-23 CN claimed
US-20100331552-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK CHEMICALS CO., LTD. (KR) 2010-12-30 US claimed
EP-2247569-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK Chemicals, Co., Ltd. (KR) 2010-11-10 EP claimed
WO-2009104920-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK CHEMICALS CO., LTD. (KR) 2009-08-27 WO claimed
CN-101980999-B Acid salts of tolterodine with effective stability for transdermal drug delivery systems SK CHEMICALS CO LTD 2014-11-12 CN disclosed
EP-2247569-B1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK CHEMICALS CO LTD (KR) 2014-08-13 EP disclosed
US-8367726-B2 Acid salt of tolterodine having effective stability for transdermal drug delivery system SK CHEMICALS CO., LTD. (KR) 2013-02-05 US disclosed
CN-101980999-A Acid salts of tolterodine with effective stability for transdermal drug delivery systems SK CHEMICALS CO LTD 2011-02-23 CN disclosed
US-20100331552-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK CHEMICALS CO., LTD. (KR) 2010-12-30 US disclosed
EP-2247569-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK Chemicals, Co., Ltd. (KR) 2010-11-10 EP disclosed
WO-2009104920-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SK CHEMICALS CO., LTD. (KR) 2009-08-27 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 (1 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-20100331552-A1 ACID SALT OF TOLTERODINE HAVING EFFECTIVE STABILITY FOR TRANSDERMAL DRUG DELIVERY SYSTEM SLC6A6, SLC6A2, TACR1 CHRM2 543/4885CHRM1 1719/4885CHRM3 605/4885

“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.