Oxalic Acid

Oxalic Acid

SCHEMBL7544492

CCCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3.O=C(O)C(=O)O

nearest known ligand 0.82

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
▸ OPRM1 known ✓ P35372 1/20 0.43
▸ HTR1B P28222 6/20 0.82
▸ HTR1D P28221 4/20 0.82
▸ EGFR P00533 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ FLT4 P35916 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ HTR6 P50406 1/20 0.51
▸ NR2E1 Q9Y466 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ RAD52 P43351 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL9333462 0.93 HTR1B (0.93) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL1388869 0.87 HTR1B (0.72) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL7460912 0.87 HTR1B (0.68) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL7460636 0.85 HTR1B (0.71) HTR1BHTR1DEGFRIGF1RFLT4
Hydrochloric Acid SCHEMBL8618425 0.84 HTR1B (0.70) HTR1BHTR1DEGFRIGF1RFLT4
Oxalic Acid SCHEMBL7540449 0.81 HTR1B (0.66) HTR1BHTR1DEGFRIGF1RFLT4
Oxalic Acid SCHEMBL7543521 0.80 HTR1B (0.65) HTR1BHTR1DKDRHTR6KMT2A
SCHEMBL7657783 0.79 EGFR (0.67) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL6527024 0.79 HTR1B (1.00) HTR1BHTR1DEGFRIGF1RFLT4
Oxalic Acid SCHEMBL7543349 0.78 HTR1B (0.66) HTR1BHTR1DEGFRIGF1RFLT4

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 13 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
EP-1104292-A2 TREATMENT OF VASODILATORY HEADACHE Vernalis Limited (GB) 2001-06-06 — — EP disclosed
WO-2000009099-A2 TREATMENT OF VASODILATORY HEADACHE VERNALIS LIMITED (GB) 2000-02-24 — — WO 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
CN-1034072-C Medicaments SMITHKLINE BEECHAM PLC (GB) 1997-02-19 — — CN 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
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 — — EP disclosed
CN-1069726-A The preparation method of compounds SMITHKLINE BEECHAM PLC (GB) 1993-03-10 — — CN disclosed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 — — 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 (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 137/4885HTR1B 71/4885HTR1D 26/4885

“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.

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