SCHEMBL2018408

SCHEMBL2018408

CN(C)[C@@H](CCO)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRK1 P41145 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4742742 1.00 OPRM1 (0.44) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL2488429 1.00 OPRM1 (0.44) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL6674978 0.85 KDM4E (0.49) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL9799315 0.84 OPRM1 (0.42) OPRM1OPRK1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL27535166 0.84 KDM4E (0.48) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL4435156 0.82 LMNA (0.40) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL28679829 0.81 OPRM1 (0.40) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL4440878 0.80 LMNA (0.41) OPRM1OPRK1ALDH1A1LMNAKMT2A
SCHEMBL4448653 0.80 LMNA (0.41) OPRM1OPRK1ALDH1A1LMNAKMT2A
SCHEMBL4438409 0.80 LMNA (0.41) OPRM1OPRK1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011077443-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE BIOCON LIMITED (IN) 2011-06-30 WO claimed
EP-1976844-A2 IMPROVED PROCESS FOR PURE DULOXETINE HYDROCHLORIDE MSN Laboratories Limited (IN) 2008-10-08 EP claimed
EP-1971591-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS Medichem, S.A. (ES) 2008-09-24 EP claimed
WO-2007096707-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS MEDICHEM S.A. (US) 2007-08-30 WO claimed
WO-2007077580-A2 IMPROVED PROCESS FOR PURE DULOXETINE HYDROCHLORIDE MSN LABORATORIES LIMITED (IN) 2007-07-12 WO claimed
CN-113429380-B Preparation method of duloxetine 新发药业有限公司 2022-07-01 CN disclosed
CN-113429380-A Preparation method of duloxetine 新发药业有限公司 2021-09-24 CN disclosed
WO-2011077443-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE BIOCON LIMITED (IN) 2011-06-30 WO disclosed
WO-2009087463-A2 A METHOD FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2009-07-16 WO disclosed
US-20090093645-A1 SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS MEDICHEM S.A. (ES) 2009-04-09 US disclosed
EP-1976844-A2 IMPROVED PROCESS FOR PURE DULOXETINE HYDROCHLORIDE MSN Laboratories Limited (IN) 2008-10-08 EP disclosed
EP-1971592-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS Medichem, S.A. (ES) 2008-09-24 EP disclosed
EP-1971591-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS Medichem, S.A. (ES) 2008-09-24 EP disclosed
WO-2008093360-A2 A PROCESS FOR PREPARATION OF (S)-(+)-N-METHYL-3(1-NAPHTHYLOXY)-3(2-THIENYL)PROPYLAMINE HYDROCHLORIDE USV LIMITED (IN) 2008-08-07 WO disclosed
WO-2007119114-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS MEDICHEM, S.A. (US) 2007-10-25 WO disclosed
WO-2007096707-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS MEDICHEM S.A. (US) 2007-08-30 WO disclosed
WO-2007077580-A2 IMPROVED PROCESS FOR PURE DULOXETINE HYDROCHLORIDE MSN LABORATORIES LIMITED (IN) 2007-07-12 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 (1 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-20090093645-A1 SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS SLC6A2, SLC6A4, CYP2D6 OPRM1 138/4885OPRK1 53/4885KDM4E 603/4885

“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.