Oxalic Acid

Oxalic Acid

SCHEMBL4395271

O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(=NOCc2cccnc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

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 2/20 0.42
C3AR1 Q16581 10/20 0.46
CACNA1B Q00975 2/20 0.45
CACNA1F O60840 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
HRH2 P25021 2/20 0.42
ADRA1D P25100 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
ADRA1B P35368 2/20 0.42
DRD3 P35462 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR6 P50406 2/20 0.42
CACNA1D Q01668 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CACNA1S Q13698 2/20 0.42

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
SCHEMBL4387320 0.98 C3AR1 (0.47) C3AR1CACNA1BCACNA1FDRD4DRD5
Oxalic Acid SCHEMBL4377721 0.89 CACNA1B (0.48) C3AR1CACNA1BCACNA1FDRD4DRD5
SCHEMBL4377033 0.88 CACNA1B (0.53) CACNA1BCACNA1FDRD4DRD5HRH2
SCHEMBL8221566 0.87 CACNA1B (0.50) C3AR1CACNA1BCACNA1FDRD4DRD5
SCHEMBL4385355 0.81 CACNA1B (0.46) CACNA1BCACNA1FDRD4DRD5HRH2
SCHEMBL4390287 0.81 SIGMAR1 (0.51) CACNA1FDRD4DRD5HRH2ADRA1D
SCHEMBL4395447 0.80 CACNA1B (0.48) CACNA1BCACNA1FDRD4DRD5HRH2
SCHEMBL4379075 0.76 CACNA1B (0.45) CACNA1BCACNA1FDRD4DRD5HRH2
Oxalic Acid SCHEMBL4380546 0.74 SLC6A3 (0.54) CACNA1FDRD4DRD5HRH2ADRA1D
Oxalic Acid SCHEMBL4395310 0.70 TACR1 (0.46) CACNA1FDRD4DRD5HRH2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 OPRM1 55/4885C3AR1 1442/4885CACNA1B 28/4885

“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.