SCHEMBL165478

SCHEMBL165478

CNCCC(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
SCHEMBL1201347 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 411 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365927-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2025-07-22 US claimed
CN-119685420-A Method for preparing (S) -3-methylamino-1- (2-thienyl) -1-propanol by asymmetric reduction of alcohol dehydrogenase 瑞博(苏州)制药有限公司 2025-03-25 CN claimed
CN-117645597-A Method for synthesizing key chiral intermediate of duloxetine by asymmetric form hydroamination 江苏恒盛药业有限公司 2024-03-05 CN claimed
US-20230104779-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-04-06 US claimed
US-11512332-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2022-11-29 US claimed
CN-112126663-A Production process of duloxetine 浙江拓普药业股份有限公司 2020-12-25 CN claimed
US-20200340025-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-10-29 US claimed
US-10752926-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2020-08-25 US claimed
US-10724008-B2 Ketoreductases C-LECTA GMBH (DE) 2020-07-28 US claimed
CN-109535123-A A kind of preparation method of (S) -3- methylamino -1- (2- thienyl) -1- propyl alcohol 凯瑞斯德生化(苏州)有限公司 2019-03-29 CN claimed
US-20060063943-A1 Process for preparing optically active 3-(methylamino)-1-(2-thienyl) propan-1-ol and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-23 US claimed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US claimed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 EP claimed
CN-1678562-A Method for the enantioselective hydrogenation of amino alcohols MERCK PATENT GMBH (DE) 2005-10-05 CN claimed
US-20050171360-A1 Preparation of n-methyl-3-hydroxy- 3-(2-thienyl)propylamine via novel thiophene derivatives containing carbamate groups as intermediates DEGUSSA AG (DE) 2005-08-04 US claimed
WO-2005033094-A2 METHODS FOR THE PRODUCTION OF 3-METHYLAMINO-1-(THIENE-2-YL)-PROPANE-1-OL BASF AKTIENGESELLSCHAFT (DE) 2005-04-14 WO claimed
EP-1506965-A1 PROPANOLAMINE DERIVATIVES, PROCESS FOR PREPARATION OF 3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOLS AND PROCESS FOR PREPARATION OF PROPANOLAMINE DERIVATIVES Mitsubishi Rayon Co., Ltd. (JP) 2005-02-16 EP claimed
EP-1476439-A1 PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES Degussa AG (DE) 2004-11-17 EP claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
WO-2003070720-A1 PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES DEGUSSA AG (DE) 2003-08-28 WO claimed

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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A SLC6A2 86/4885SLC6A4 44/4885SLC6A3 12/4885
US-20060063943-A1 Process for preparing optically active 3-(methylamino)-1-(2-thienyl) propan-1-ol and intermediates for preparation TPMT, HTR1A, TPH1 SLC6A2 91/4885SLC6A4 40/4885SLC6A3 132/4885
US-20050171360-A1 Preparation of n-methyl-3-hydroxy- 3-(2-thienyl)propylamine via novel thiophene derivatives containing carbamate groups as intermediates HTR3C, PNMT, HTR2C SLC6A2 60/4885SLC6A4 21/4885SLC6A3 28/4885

“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.