SCHEMBL1201347

SCHEMBL1201347

CNCC[C@@H](O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 8/20 0.49
KMT2A Q03164 2/20 0.48
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD2 P14416 1/20 0.48
KCNE1 P15382 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MC4R P32245 1/20 0.48

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
SCHEMBL165478 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL98019 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KMT2AMLNR
Methylamine SCHEMBL6327312 0.97 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL4139336 0.92 KMT2A (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL12546727 0.88 KMT2A (0.44) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL12546791 0.88 KMT2A (0.44) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL13536715 0.86 KMT2A (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
Mandelic Acid SCHEMBL6378790 0.85 LMNA (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
Mandelic Acid SCHEMBL6376919 0.85 LMNA (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL14353971 0.83 KMT2A (0.46) SLC6A2SLC6A4SLC6A3KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-8258338-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-09-04 US claimed
CN-102627572-A Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG 2012-08-08 CN claimed
EP-1720852-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2012-07-11 EP claimed
US-7973182-B2 enantiomerically pure 1-substituted-3-amino-alcohols, particularly of (S)-(-)- and (R)-(+)-3-N-methylamino-1-(2-thienyl)-1-propanol, by asymmetrically hydrogenating salts of a carboxylic acids with an aminoketone of the formula: LONZA LTD. (CH) 2011-07-05 US claimed
CN-101124196-B Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG 2011-05-11 CN claimed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US claimed
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols LONZA AG (CH) 2009-06-18 US claimed
US-20080154047-A1 Process For the Preparation of Enantiomerically Pure1-Substitued-3-Aminoalcohols LONZA AG (CH) 2008-06-26 US claimed
CN-101124196-A Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2008-02-13 CN claimed
CN-101012219-A Method of preparing dulouxetine UNIV TIANJIN (CN) 2007-08-08 CN claimed
CN-1922168-A Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2007-02-28 CN claimed
EP-1566383-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols Lonza AG (CH) 2005-08-24 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
WO-2004005307-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL LONZA AG (CH) 2004-01-15 WO claimed
US-10941138-B2 Quinoline and isoquinoline derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-03-09 US disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 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 (5 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 SLC6A2 1337/4885SLC6A4 1738/4885SLC6A3 1529/4885
US-10941138-B2 Quinoline and isoquinoline derivatives for treating pain and pain related conditions CACNA1B, SCN2A, CACNA1C SLC6A2 15/4885SLC6A4 129/4885SLC6A3 154/4885
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols CYP2S1, AKR1C3, ADSL SLC6A2 3369/4885SLC6A4 3037/4885SLC6A3 2109/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SLC6A2 1405/4885SLC6A4 1298/4885SLC6A3 874/4885
US-20080154047-A1 Process For the Preparation of Enantiomerically Pure1-Substitued-3-Aminoalcohols ADH1A, ADH1C, ALDH7A1 SLC6A2 3361/4885SLC6A4 3028/4885SLC6A3 2235/4885

“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.