SCHEMBL521869

SCHEMBL521869

CN(C)CC[C@@H](Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.76
SLC6A2 P23975 9/20 0.71
SLC6A4 P31645 9/20 0.71
SLC6A3 Q01959 8/20 0.71
HTR1A P08908 2/20 0.70
MLNR O43193 1/20 0.70
CACNA1F O60840 1/20 0.70
CYP1A2 P05177 1/20 0.70
ADRB1 P08588 1/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
DRD2 P14416 1/20 0.70
KCNE1 P15382 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
MC4R P32245 1/20 0.70

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
SCHEMBL521176 1.00 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL29420217 1.00 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3592 1.00 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12342733 1.00 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL3280673 0.99 CACNA2D1 (0.74) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL3358201 0.99 CACNA2D1 (0.74) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL1535363 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL3312526 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Phosphoric Acid SCHEMBL1535335 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL2740 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132192-B1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LTD (IN) 2013-04-24 EP claimed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US claimed
US-7709662-B2 Method of manufacturing (S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine hydrochloride (duloxetine) ZENTIVA K.S. (CZ) 2010-05-04 US claimed
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2010-04-29 US claimed
US-7550605-B2 Process for preparation of an anitdepressant compound SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-06-23 US claimed
US-20090143600-A1 METHOD OF MANUFACTURING (S)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) ZENTIVA, A.S. (CZ) 2009-06-04 US claimed
EP-1758879-B1 METHOD OF MANUFACTURING (S)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) ZENTIVA AS (CZ) 2007-12-12 EP claimed
US-20070191616-A1 Process for preparation of an antidepressant compound SUN PHAMACEUUTICAL INDUSTRIES LTD. (IN) 2007-08-16 US claimed
WO-2006027798-A2 A PROCESS FOR PREPARATION OF AN ANTIDEPRESSANT COMPOUND SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-03-16 WO claimed
EP-2172464-B1 A method for the preparation of the hydrochloride salt from the duloxetine base ZENTIVA KS (CZ) 2015-08-26 EP disclosed
EP-2132192-B1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LTD (IN) 2013-04-24 EP disclosed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
US-20080293952-A1 Method for the Preparation of (S)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl)Propylamine Hydrochloride (Duloxetine) ZENTIVA K.S. (CZ) 2008-11-27 US disclosed
WO-2008107911-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2008-09-12 WO disclosed
EP-1758879-B1 METHOD OF MANUFACTURING (S)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) ZENTIVA AS (CZ) 2007-12-12 EP disclosed
US-20070191616-A1 Process for preparation of an antidepressant compound SUN PHAMACEUUTICAL INDUSTRIES LTD. (IN) 2007-08-16 US disclosed
US-20060270861-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2006-11-30 US disclosed
WO-2006027798-A2 A PROCESS FOR PREPARATION OF AN ANTIDEPRESSANT COMPOUND SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-03-16 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 (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-20090143600-A1 METHOD OF MANUFACTURING (S)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) PNMT, HTR3A, SLC6A3 CACNA2D1 1015/4885SLC6A2 16/4885SLC6A4 6/4885
US-20060270861-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine DNTT, ERH, PNMT CACNA2D1 809/4885SLC6A2 1856/4885SLC6A4 907/4885
US-20080293952-A1 Method for the Preparation of (S)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl)Propylamine Hydrochloride (Duloxetine) SLC6A3, PNMT, SLC6A2 CACNA2D1 131/4885SLC6A2 3/4885SLC6A4 4/4885
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE MAOA, SLC6A3, PNMT CACNA2D1 741/4885SLC6A2 19/4885SLC6A4 16/4885
US-20070191616-A1 Process for preparation of an antidepressant compound TPH1, TPH2, HTR4 CACNA2D1 908/4885SLC6A2 13/4885SLC6A4 5/4885

“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.