SCHEMBL471019

SCHEMBL471019

CN(C)CCC(=O)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
LMNA P02545 4/20 0.69
KMT2A Q03164 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
MEN1 O00255 2/20 0.69
POLB P06746 2/20 0.69
HPGD P15428 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTNNB1 P35222 5/20 0.55
WNT3A P56704 4/20 0.55
GSK3B P49841 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 1/20 0.51
ERCC5 P28715 1/20 0.50

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
Hydrochloric Acid SCHEMBL3303 0.98 ALDH1A1 (0.67) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13044823 0.89 LMNA (0.69) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL12719803 0.88 LMNA (0.67) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13536701 0.86 ALDH1A1 (0.65) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL14878250 0.85 LMNA (0.62) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL14139292 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL5021506 0.85 LMNA (0.62) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13562555 0.83 LMNA (0.61) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL28800151 0.83 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13536765 0.83 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111979207-A Aldehyde ketone reductase and method for preparing chiral duloxetine intermediate by asymmetric reduction 华侨大学 2020-11-24 CN claimed
EP-2329013-B1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS INC (US) 2015-10-28 EP claimed
US-8426178-B2 Ketoreductase polypeptides for the production of a 3-aryl-3-hydroxypropanamine from a 3-aryl-3-ketopropanamine CODEXIS, INC. (US) 2013-04-23 US claimed
US-20100151534-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS, INC. (US) 2010-06-17 US claimed
US-20090123514-A1 Electropolymerizable Monomers and Polymeric Coatings on Implantable Devices Prepared Therefrom ELUTEX LTD. (IL) 2009-05-14 US claimed
US-20090012315-A1 Process for Pure Duloxetine Hydrochloride MSN LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US claimed
US-20070281989-A1 Process for preparing duloxetine and intermediates thereof TEVA PHARMACEUTICALS USA, INC. 2007-12-06 US claimed
CN-1304360-C Preparation method of N,N-dimethyl-3-hydroxy-3-aryl propyl amine UNIV TIANJIN (CN) 2007-03-14 CN claimed
EP-0457559-A2 Chiral synthesis of 1-aryl-3-aminopropan-1-ols ELI LILLY AND COMPANY (US) 1991-11-21 EP claimed
US-12398126-B2 Process to synthesize 5-(3pyridyl)-2,2′-bithiophene(sensitizer) FERMENTA BIOTECH LIMITED (IN) 2025-08-26 US disclosed
US-12365927-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2025-07-22 US disclosed
CN-118726288-A Recombinant ketoaldehyde reductase mutant and application thereof 杭州微远生物科技有限公司 2024-10-01 CN disclosed
CN-117089533-A Recombinant carbonyl reductase, mutant, coding gene and application thereof 浙江工业大学 2023-11-21 CN disclosed
CN-110229796-B Ketoreductase mutant and application thereof in preparation of duloxetine chiral alcohol intermediate and analogue thereof 安徽趣酶生物科技有限公司 2023-09-05 CN disclosed
EP-0766819-B1 GAS SENSOR COMPRISING SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1999-09-08 EP disclosed
EP-0454204-B1 Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer DUPHAR INT RES (NL) 1995-06-28 EP disclosed
US-5252191-A Method for the photochemical isomerization of organic compounds under the influence of a photosensitizer DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-10-12 US disclosed
EP-0457559-A2 Chiral synthesis of 1-aryl-3-aminopropan-1-ols ELI LILLY AND COMPANY (US) 1991-11-21 EP disclosed
EP-0454204-A2 Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-10-30 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-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine HTR3A, PNMT, TPH1 ALDH1A1 143/4885LMNA 520/4885KMT2A 2173/4885
US-20090123514-A1 Electropolymerizable Monomers and Polymeric Coatings on Implantable Devices Prepared Therefrom ITK, ICAM1, ITGAM ALDH1A1 933/4885LMNA 2839/4885KMT2A 2872/4885
US-20070281989-A1 Process for preparing duloxetine and intermediates thereof UGT1A4, CYP3A4, CYP4B1 ALDH1A1 151/4885LMNA 885/4885KMT2A 2336/4885
US-20090012315-A1 Process for Pure Duloxetine Hydrochloride OPRK1, OPRM1, OPRD1 ALDH1A1 475/4885LMNA 2180/4885KMT2A 1298/4885
US-12398126-B2 Process to synthesize 5-(3pyridyl)-2,2′-bithiophene(sensitizer) TPST2, TH, TDO2 ALDH1A1 3314/4885LMNA 4509/4885KMT2A 149/4885

“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.