Oxalic Acid

Oxalic Acid

SCHEMBL5871722

COc1ccc(C(O)c2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)cn1.O=C(O)C(=O)O

nearest known ligand 0.40

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 3/20 0.38
HTR2A P28223 9/20 0.40
HTR7 P34969 5/20 0.40
HTR2C P28335 5/20 0.40
KCNH2 Q12809 3/20 0.40
HTR1D P28221 4/20 0.40
HTR1B P28222 4/20 0.40
HTR1A P08908 2/20 0.40
HTR1F P30939 1/20 0.40
HRH1 P35367 5/20 0.38
DRD1 P21728 4/20 0.38
ADRA1B P35368 4/20 0.38
HTR2B P41595 4/20 0.38
DRD4 P21917 3/20 0.38
HRH2 P25021 3/20 0.38
DRD2 P14416 3/20 0.38
GRM2 Q14416 3/20 0.38
ADRA2C P18825 2/20 0.38
DRD5 P21918 2/20 0.38
ADRA1A P35348 2/20 0.38

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
SCHEMBL5872070 0.96 HTR2A (0.43) HTR2AHTR7HTR2CKCNH2HTR1D
SCHEMBL5871726 0.89 HTR1D (0.40) HTR2AHTR7HTR2CKCNH2HTR1D
Oxalic Acid SCHEMBL7224209 0.86 HTR1A (0.44) HTR2AHTR7HTR2CHTR1DHTR1B
Fluorobenzene SCHEMBL27494008 0.84 DRD2 (0.38) HTR2AHTR7KCNH2HTR1DHTR1B
Oxalic Acid SCHEMBL5871700 0.84 HTR2A (0.49) HTR2AHTR7HTR2CKCNH2HTR1D
SCHEMBL5871629 0.83 HTR1A (0.46) HTR2AHTR7HTR2CKCNH2HTR1D
Oxalic Acid SCHEMBL5872026 0.82 HTR2A (0.52) HTR2AHTR7HTR2CKCNH2HTR1D
SCHEMBL5871375 0.79 HTR2A (0.53) HTR2AHTR7HTR2CKCNH2HTR1D
SCHEMBL5871704 0.78 HTR2A (0.46) HTR2AHTR7HTR2CKCNH2HTR1D
SCHEMBL5871956 0.78 HTR2A (0.56) HTR2AHTR7HTR2CKCNH2HTR1D

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-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB SLC6A4 25/4885HTR2A 209/4885HTR7 71/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 SLC6A4 114/4885HTR2A 143/4885HTR7 57/4885

“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.