SCHEMBL4298699

SCHEMBL4298699

CN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.86
CYP1A2 P05177 1/20 0.86
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
CHRM3 P20309 10/20 0.70
CHRM2 P08172 3/20 0.65
CHRM1 P11229 3/20 0.63
HRH1 P35367 2/20 0.63
HTR2B P41595 2/20 0.63
KCNH2 Q12809 2/20 0.63
CHRM4 P08173 2/20 0.63
CHRM5 P08912 2/20 0.63
MLNR O43193 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CACNA1C Q13936 1/20 0.58

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
SCHEMBL29409726 0.99 ALDH1A1 (0.84) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL7649694 0.97 ALDH1A1 (0.82) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL1697179 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL10098821 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL9889332 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5391765 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5391762 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5395653 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL418425 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5395648 0.93 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309732-B2 Process for preparing quaternary salts of piperidyl esters of mandelic acid SALTIGO GMBH (US) 2012-11-13 US claimed
US-20090270629-A1 PROCESS FOR PREPARING QUATERNARY SALTS OF PIPERIDYL ESTERS OF MANDELIC ACID SALTIGO GMBH (DE) 2009-10-29 US claimed
US-8633225-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2014-01-21 US disclosed
US-8633225-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2014-01-21 US disclosed
EP-2032118-B1 COSMETIC COMPOSITIONS CONTAINING PIPERIDINIUM COMPOUNDS BEIERSDORF AG (DE) 2012-12-19 EP disclosed
US-8309732-B2 Process for preparing quaternary salts of piperidyl esters of mandelic acid SALTIGO GMBH (US) 2012-11-13 US disclosed
US-8309732-B2 Process for preparing quaternary salts of piperidyl esters of mandelic acid SALTIGO GMBH (US) 2012-11-13 US disclosed
US-8309732-B2 Process for preparing quaternary salts of piperidyl esters of mandelic acid SALTIGO GMBH (US) 2012-11-13 US disclosed
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2011-02-24 US disclosed
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2011-02-24 US disclosed
US-7851633-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2010-12-14 US disclosed
US-7851633-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2010-12-14 US disclosed
US-20090270629-A1 PROCESS FOR PREPARING QUATERNARY SALTS OF PIPERIDYL ESTERS OF MANDELIC ACID SALTIGO GMBH (DE) 2009-10-29 US disclosed
US-20090270629-A1 PROCESS FOR PREPARING QUATERNARY SALTS OF PIPERIDYL ESTERS OF MANDELIC ACID SALTIGO GMBH (DE) 2009-10-29 US disclosed
US-20090270629-A1 PROCESS FOR PREPARING QUATERNARY SALTS OF PIPERIDYL ESTERS OF MANDELIC ACID SALTIGO GMBH (DE) 2009-10-29 US disclosed
US-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2007-12-20 US disclosed
US-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2007-12-20 US disclosed
WO-2007141289-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2007-12-13 WO disclosed
US-6482837-B1 Antimuscarinic compounds and methods for treatment of bladder diseases UNIVERSITY OF ROCHESTER 2002-11-19 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 (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-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them CUTA, DPM1, TRPA1 ALDH1A1 155/4885CYP1A2 1589/4885CYP3A4 3456/4885
US-20090270629-A1 PROCESS FOR PREPARING QUATERNARY SALTS OF PIPERIDYL ESTERS OF MANDELIC ACID MYD88, ETF1, C5 ALDH1A1 293/4885CYP1A2 169/4885CYP3A4 563/4885
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM CUTA, DPM1, TRPA1 ALDH1A1 155/4885CYP1A2 1589/4885CYP3A4 3456/4885

“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.