SCHEMBL2106203

SCHEMBL2106203

Nc1ccc(-c2coc3cc(OCc4cccc(C(=O)O)c4)ccc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 18/20 0.57
MAOA P21397 10/20 0.56
MAOB P27338 10/20 0.56
MRGPRX4 Q96LA9 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL2108844 0.92 ALDH2 (0.54) ALDH2MAOAMAOBALDH1A1MAPT
SCHEMBL2107963 0.92 ALDH2 (0.67) ALDH2MAOAMAOB
SCHEMBL3421810 0.92 MAPT (0.61) ALDH2MAOAMAOBMRGPRX4ALDH1A1
SCHEMBL2107835 0.91 ALDH2 (0.56) ALDH2MAOAMAOBMRGPRX4ALDH1A1
SCHEMBL21635206 0.91 ALDH2 (0.56) ALDH2MAOAMAOBALDH1A1MAPT
SCHEMBL2106313 0.90 MAPT (0.55) ALDH2MAOAMAOBALDH1A1MAPT
SCHEMBL2108139 0.87 ALDH2 (0.51) ALDH2MAOAMAOBALDH1A1MAPT
SCHEMBL2108852 0.87 ALDH2 (0.53) ALDH2MAOAMAOBALDH1A1MAPT
SCHEMBL2107964 0.87 ALDH2 (0.53) ALDH2MAOAMAOBMRGPRX4ALDH1A1
SCHEMBL2108855 0.87 ALDH2 (0.53) ALDH2MAOAMAOBMAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3863424-A1 ADDICTION TREATMENT OF AN ALCOHOL-CONSUMING PATIENT POPULATION Amygdala Neurosciences, Inc. (US) 2021-08-18 EP claimed
EP-3697415-A1 COMBINATION THERAPY FOR PREVENTING ADDICTION Amygdala Neurosciences, Inc. (US) 2020-08-26 EP claimed
WO-2019079209-A1 COMBINATION THERAPY FOR PREVENTING ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2019-04-25 WO claimed
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO claimed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO claimed
EP-3863424-A1 ADDICTION TREATMENT OF AN ALCOHOL-CONSUMING PATIENT POPULATION Amygdala Neurosciences, Inc. (US) 2021-08-18 EP disclosed
US-20210220376-A1 ADDICTION TREATMENT OF AN ALCOHOL-CONSUMING PATIENT POPULATION AMYGDALA NEUROSCIENCES, INC. (US) 2021-07-22 US disclosed
EP-3829562-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION Amygdala Neurosciences, Inc. (US) 2021-06-09 EP disclosed
US-20210145844-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2021-05-20 US disclosed
US-20200237789-A1 COMBINATION THERAPY FOR PREVENTING ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2020-07-30 US disclosed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US disclosed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 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 (7 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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885MAOA 62/4885MAOB 47/4885
US-20210145844-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION CHRNA2, ALDH2, ALDH1A1 ALDH2 2/4885MAOA 92/4885MAOB 86/4885
US-20200237789-A1 COMBINATION THERAPY FOR PREVENTING ADDICTION ALDH2, ALDH1A1, ALDH3A1 ALDH2 1/4885MAOA 48/4885MAOB 40/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885MAOA 62/4885MAOB 47/4885
US-20210220376-A1 ADDICTION TREATMENT OF AN ALCOHOL-CONSUMING PATIENT POPULATION ADH1A, ADH1C, ALDH1A1 ALDH2 6/4885MAOA 35/4885MAOB 33/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 4/4885MAOA 62/4885MAOB 45/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH2 1/4885MAOA 59/4885MAOB 30/4885

“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.