Oxalic Acid

Oxalic Acid

SCHEMBL5871135

CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.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 19)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.38
CCR3 P51677 3/20 0.40
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
CACNA1G O43497 1/20 0.38
DRD2 P14416 1/20 0.38
LTA4H P09960 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 1/20 0.36

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
Oxalic Acid SCHEMBL5871679 0.93 CCR3 (0.41) CCR3KCNH2CACNA1ICACNA1GDRD2
SCHEMBL5871011 0.90 CCR3 (0.42) CCR3KCNH2CACNA1ICACNA1GDRD2
Oxalic Acid SCHEMBL5871203 0.89 HTR1A (0.43) CCR3KCNH2CACNA1IOPRM1CACNA1G
SCHEMBL5871701 0.88 DRD2 (0.44) CCR3KCNH2OPRM1CACNA1GDRD2
SCHEMBL5872018 0.87 HTR1A (0.45) CCR3KCNH2CACNA1IOPRM1CACNA1G
Oxalic Acid SCHEMBL5871140 0.86 CCR5 (0.49) OPRM1KMT2AMEN1
SCHEMBL4081913 0.85 DRD2 (0.43) CCR3KCNH2OPRM1CACNA1GDRD2
SCHEMBL5871274 0.84 CCR3 (0.41) CCR3OPRM1CACNA1GDRD2SLC6A4
SCHEMBL5871543 0.82 DRD2 (0.44) CCR3KCNH2OPRM1CACNA1GDRD2
SCHEMBL4076926 0.80 HTR2A (0.44) CCR3KCNH2OPRM1CACNA1GDRD2

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 OPRM1 471/4885SLC6A4 25/4885CCR3 1186/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 OPRM1 340/4885SLC6A4 114/4885CCR3 1686/4885

“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.