Oxalic Acid

Oxalic Acid

SCHEMBL5871679

CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.O=C(O)C(=O)O

nearest known ligand 0.41

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 2/20 0.36
CCR3 P51677 4/20 0.41
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
MEN1 O00255 1/20 0.38
LTA4H P09960 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36
CACNA1G O43497 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5871011 0.98 CCR3 (0.42) CCR3KMT2AKCNH2CACNA1IMEN1
Oxalic Acid SCHEMBL5871135 0.93 CCR3 (0.40) CCR3KMT2AKCNH2CACNA1IMEN1
Oxalic Acid SCHEMBL5871682 0.86 CCR5 (0.47) KMT2AKCNH2MEN1
SCHEMBL5871701 0.85 DRD2 (0.44) CCR3KCNH2SIGMAR1SLC6A4HTR1A
SCHEMBL4081913 0.84 DRD2 (0.43) CCR3KCNH2SIGMAR1SLC6A4HTR1A
SCHEMBL5871014 0.84 CCR5 (0.47) KMT2AMEN1
SCHEMBL5871274 0.83 CCR3 (0.41) CCR3SIGMAR1SLC6A4HTR1ACACNA1G
SCHEMBL5871017 0.82 CTSD (0.37) KMT2AKCNH2CACNA1IMEN1KDM4E
Oxalic Acid SCHEMBL5871203 0.82 HTR1A (0.43) CCR3KCNH2CACNA1IHTR1ACACNA1G
SCHEMBL4076926 0.80 HTR2A (0.44) CCR3KMT2AKCNH2MEN1SIGMAR1

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 25/4885CCR3 1186/4885KMT2A 1128/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 SLC6A4 114/4885CCR3 1686/4885KMT2A 1347/4885

“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.