SCHEMBL2741

SCHEMBL2741

CN(C)C(CC(Oc1cccc2ccccc12)c1cccs1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)c1cccs1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.56
SLC6A4 P31645 10/20 0.56
SLC6A3 Q01959 9/20 0.56
HTR1A P08908 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
MLNR O43193 1/20 0.55
CACNA1F O60840 1/20 0.55
CYP1A2 P05177 1/20 0.55
ADRB1 P08588 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
DRD2 P14416 1/20 0.55
KCNE1 P15382 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55

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
SCHEMBL1535377 1.00 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL3312531 1.00 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL5512395 0.92 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL5318542 0.91 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL4621205 0.91 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL3137762 0.91 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL4620899 0.91 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL3760527 0.91 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL3568 0.86 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3HTR1AHTT
SCHEMBL3310379 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016066-A2 PROCESS FOR PREPARING DULOXETINE Dr. Reddy's Laboratories Ltd. (IN) 2009-01-21 EP claimed
WO-2007134168-A2 PROCESS FOR PREPARING DULOXETINE DR. REDDY'S LABORATORIES LTD. (IN) 2007-11-22 WO claimed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
EP-1857451-B1 A process for the preparation of an intermediate useful for the asymmetric synthesis of (+)duloxetine FIDIA FARMACEUTICI (IT) 2010-07-21 EP disclosed
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2010-04-29 US disclosed
EP-1857451-A1 A process for the preparation of an intermediate useful for the asymmetric synthesis of (+)duloxetine SOLMAG S.p.A. (IT) 2007-11-21 EP disclosed
EP-0457559-A2 Chiral synthesis of 1-aryl-3-aminopropan-1-ols ELI LILLY AND COMPANY (US) 1991-11-21 EP disclosed
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 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 (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-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE MAOA, SLC6A3, PNMT SLC6A2 19/4885SLC6A4 16/4885SLC6A3 2/4885

“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.