Oxalic Acid

Oxalic Acid

SCHEMBL7543375

CN(C)C1CCc2[nH]c3ccc(NC=O)cc3c2C1.O=C(O)C(=O)O

nearest known ligand 0.63

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 15)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.41
HTR1F P30939 1/20 0.63
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.43
HTR1B P28222 4/20 0.43
HTR1D P28221 3/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7415658 0.95 HTR1F (0.63) HTR1FKMT2AMEN1HTR1BHTR1D
Oxalic Acid SCHEMBL7541311 0.90 HTR1F (0.52) HTR1FKMT2AMEN1HTR1BHTR1D
SCHEMBL8647158 0.84 HTR1F (0.52) HTR1FKMT2AMEN1HTR1BHTR1D
Oxalic Acid SCHEMBL7540895 0.84 HTR1B (0.62) HTR1FKMT2AMEN1HTR1BHTR1D
SCHEMBL7026047 0.83 HTR1F (0.52) HTR1FKMT2AMEN1HTR1BHTR1D
SCHEMBL11334169 0.83 HTR1F (0.74) HTR1FKMT2AMEN1HTR1BHTR1D
Oxalic Acid SCHEMBL7547006 0.82 HTR1B (0.49) HTR1FKMT2AMEN1HTR1BHTR1D
SCHEMBL2323086 0.82 HTR1F (0.48) HTR1FKMT2AMEN1HTR1BHTR1D
Oxalic Acid SCHEMBL7031650 0.82 HTR1A (0.48) HTR1FKMT2AMEN1HTR1BHTR1D
SCHEMBL7656398 0.81 HTR1F (0.81) HTR1FKMT2AMEN1HTR1BHTR1D

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-20020032192-A1 Treatment of vasodilatory headache VERNALIS LIMITED (GB) 2002-03-14 US disclosed
US-5827871-A VASODILATION DISORDERS, ESPECIALLY MIGRAINE HEADACHES; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM PLC (GB) 1998-10-27 US disclosed
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP disclosed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
US-5637611-A Medicaments SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 US disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US disclosed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 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-20020032192-A1 Treatment of vasodilatory headache CNR1, CNR2, EDNRA OPRM1 137/4885HTR1F 34/4885KMT2A 2511/4885

“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.