Oxalic Acid

Oxalic Acid

SCHEMBL5872243

COc1ccc2c(c1C)N(C1CCN(CCc3ccc(F)cc3)CC1)CCC2.O=C(O)C(=O)O

nearest known ligand 0.47

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 0.42
SLC6A4 known ✓ P31645 1/20 0.42
HTR2A P28223 7/20 0.47
GRM2 Q14416 3/20 0.47
SIGMAR1 Q99720 1/20 0.44
HTR2C P28335 3/20 0.43
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
HRH1 P35367 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA2B P18089 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HTR7 P34969 2/20 0.42
HTR6 P50406 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 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
SCHEMBL5871918 0.94 HTR2A (0.45) HTR2AGRM2HTR2CDRD2DRD1
SCHEMBL5871446 0.85 HTR2A (0.52) HTR2AGRM2HTR2CDRD2DRD1
Hydrochloric Acid SCHEMBL5871554 0.84 HTR2A (0.51) HTR2AGRM2HTR2CDRD2DRD1
SCHEMBL5871800 0.79 HTR2A (0.53) HTR2AGRM2HTR2CDRD2DRD1
SCHEMBL5871604 0.77 HTR2A (0.53) HTR2AGRM2HTR2CDRD2DRD1
SCHEMBL5871766 0.74 HTR1A (0.53) SIGMAR1HTR2CADRA1BHTR2BHTR1A
Hydrochloric Acid SCHEMBL5871695 0.74 HTR1A (0.52) SIGMAR1HTR2CADRA1BHTR2BHTR1A
SCHEMBL5870973 0.72 HTR2A (0.39) HTR2AHTR2CADRA1BHTR7HTR6
Hydrochloric Acid SCHEMBL5872310 0.71 HTR2A (0.39) HTR2AHTR2CADRA1BKCNH2HTR7
SCHEMBL5871134 0.69 HTR2A (0.48) HTR2AGRM2HTR2CDRD2DRD1

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 6 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
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 25/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 OPRM1 340/4885SLC6A4 114/4885HTR2A 143/4885

“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.