Oxalic Acid

Oxalic Acid

SCHEMBL4936002

Cc1ccccc1OC(CCN)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.62

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 9/20 0.59
OPRM1 known ✓ P35372 2/20 0.59
SLC6A2 P23975 11/20 0.59
CYP2D6 P10635 8/20 0.59
SLC6A3 Q01959 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
KCNH2 Q12809 3/20 0.59
TSHR P16473 3/20 0.59
CHRM1 P11229 2/20 0.59
ADRA2B P18089 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
HRH1 P35367 2/20 0.59
DRD3 P35462 2/20 0.59
OPRK1 P41145 2/20 0.59
HTR2B P41595 2/20 0.59
KLF10 Q13118 2/20 0.59
HRH3 Q9Y5N1 2/20 0.59
KMT2A Q03164 2/20 0.59

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
SCHEMBL2212613 0.93 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL4624371 0.93 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL2633864 0.93 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL3269598 0.91 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Oxalic Acid SCHEMBL7311161 0.86 SLC6A2 (0.59) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Oxalic Acid SCHEMBL7317717 0.84 SLC6A2 (0.60) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
Atomoxetine SCHEMBL4730875 0.83 SLC6A4 (0.86) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Oxalic Acid SCHEMBL5033726 0.83 CYP1A2 (0.57) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Atomoxetine SCHEMBL4082557 0.83 SLC6A4 (0.86) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Oxalic Acid SCHEMBL5288252 0.82 CYP2D6 (0.51) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
EP-1794112-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006037055-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-06 WO disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US 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-20080004470-A1 Synthesis of Atomoxetine Hydrochloride SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885OPRM1 12/4885SLC6A2 1/4885

“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.