Oxalic Acid

Oxalic Acid

SCHEMBL2740

CN(C)CCC(Oc1cccc2ccccc12)c1cccs1.O=C(O)C(=O)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 11/20 0.63
OPRM1 known ✓ P35372 1/20 0.62
CACNA2D1 P54289 8/20 0.67
SLC6A2 P23975 11/20 0.63
SLC6A3 Q01959 9/20 0.63
HTR1A P08908 2/20 0.62
MLNR O43193 1/20 0.62
CACNA1F O60840 1/20 0.62
CYP1A2 P05177 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
DRD2 P14416 1/20 0.62
KCNE1 P15382 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62

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
Oxalic Acid SCHEMBL3312526 1.00 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL1535363 1.00 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Succinic Acid SCHEMBL5530810 0.94 CACNA2D1 (0.65) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Succinic Acid SCHEMBL5512390 0.94 CACNA2D1 (0.65) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3592 0.93 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL29420217 0.93 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL521869 0.93 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12342733 0.93 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL521176 0.93 CACNA2D1 (0.76) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Maleic Acid SCHEMBL4621200 0.93 CACNA2D1 (0.64) 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 32 patents — showing the first 20. 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
EP-2558455-B1 SYNTHESIS OF DULOXETINE AND/OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA D D NOVO MESTO (SI) 2017-08-09 EP disclosed
EP-2558455-A1 SYNTHESIS OF DULOXETINE AND/OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA, D.D., Novo Mesto (SI) 2013-02-20 EP disclosed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
WO-2011128370-A1 SYNTHESIS OF DULOXETINE AND/OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA, D.D., NOVO MESTO (SI) 2011-10-20 WO disclosed
US-20110150942-A1 GASTRO-RESISTANT PHARMACEUTICAL ORAL COMPOSITIONS COMPRISING DULOXETINE OR ITS PHARMACEUTICALLY ACCEPTABLE DERIVATIVES KRKA, D.D. NOVO MESTO (SI) 2011-06-23 US disclosed
US-20100267968-A1 METHOD FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-10-21 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-2133072-A1 Gastro-resistant pharmaceutical oral compositions comprising duloxetine or its pharmaceutically acceptable derivatives KRKA, D.D., Novo Mesto (SI) 2009-12-16 EP disclosed
US-20060270860-A1 Crystal forms of (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate and the preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2006-11-30 US disclosed
US-20060194869-A1 Process for preparing pharmaceutically acceptable salts of duloxetine and intermediates thereof TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2006-08-31 US disclosed
WO-2006071868-A2 PROCESS FOR PREPARING PHARMACEUTICALLY ACCEPTABLE SALTS OF DULOXETINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-07-06 WO disclosed
WO-2006027798-A2 A PROCESS FOR PREPARATION OF AN ANTIDEPRESSANT COMPOUND SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-03-16 WO 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 (4 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-20060194869-A1 Process for preparing pharmaceutically acceptable salts of duloxetine and intermediates thereof UGT1A4, UGT2B7, UGT1A8 SLC6A4 8/4885OPRM1 845/4885CACNA2D1 566/4885
US-20110150942-A1 GASTRO-RESISTANT PHARMACEUTICAL ORAL COMPOSITIONS COMPRISING DULOXETINE OR ITS PHARMACEUTICALLY ACCEPTABLE DERIVATIVES HTR5A, OPRM1, CYP3A5 SLC6A4 41/4885OPRM1 2/4885CACNA2D1 4098/4885
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE MAOA, SLC6A3, PNMT SLC6A4 16/4885OPRM1 9/4885CACNA2D1 741/4885
US-20100267968-A1 METHOD FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE PNMT, HTR3A, TPH1 SLC6A4 37/4885OPRM1 65/4885CACNA2D1 1711/4885

“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.