Oxalic Acid

Oxalic Acid

SCHEMBL7530003

Clc1ccc(CN2CCN(c3ccc4c(c3)CCCO4)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.50

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
DRD4 P21917 8/20 0.50
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
HTR1A P08908 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1B P35368 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.45
FAAH O00519 1/20 0.45
HTR7 P34969 1/20 0.44
P2RX3 P56373 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL7525342 0.93 DRD4 (0.56) DRD4DRD2DRD3HTR1ACHRM5
Oxalic Acid SCHEMBL7520209 0.91 DRD2 (0.49) DRD4DRD2DRD3KDM4EALDH1A1
Oxalic Acid SCHEMBL7528961 0.85 DRD4 (0.68) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL7531148 0.83 DRD2 (0.55) DRD4DRD2DRD3TMEM97SIGMAR1
SCHEMBL12208585 0.78 CTNNB1 (0.45) ALDH1A1MAPTKMT2A
SCHEMBL7518794 0.78 DRD4 (0.78) DRD4DRD2DRD3HTR1ACHRM5
Oxalic Acid SCHEMBL7532474 0.76 DRD2 (0.67) DRD4DRD2DRD3KDM4EALDH1A1
Oxalic Acid SCHEMBL7523502 0.76 DRD2 (0.86) DRD4DRD2DRD3KDM4EALDH1A1
Oxalic Acid SCHEMBL7526570 0.75 DRD2 (0.60) DRD4DRD2DRD3HTR1ASIGMAR1
Oxalic Acid SCHEMBL7523549 0.73 DRD4 (0.63) DRD4DRD2DRD3KDM4EALDH1A1

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-6486164-B2 USED FOR TREATMENT OF NEUROPSYCHOLOGICAL DISORDERS INCLUDING SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, PARKINSON-LIKE MOTOR DISORDERS AND MOTION DISORDERS NEUROLEPTIC AGENTS. NEUROGEN CORPORATION 2002-11-26 US disclosed
US-20020099056-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkypiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-07-25 US disclosed
US-6333329-B2 USEFUL FOR TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS INCLUDING SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, DRUG ABUSE, PARKINSON-LIKE MOTOR DISORDERS AND MOTION DISORDERS NEUROGEN CORPORATION 2001-12-25 US disclosed
US-20010005753-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkylpiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2001-06-28 US disclosed
EP-1091949-A2 6-(4-ARYLALKYLPIPERAZIN-1-YL)BENZODIOXANE AND 6-(4-ARYLALKYLPIPERAZIN-1-YL)CHROMANE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-04-18 EP disclosed
US-6177566-B1 TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-01-23 US disclosed
WO-2000000489-A2 6-(4-ARYLALKYLPIPERAZIN-1-YL)BENZODIOXANE AND 6-(4-ARYLALKYLPIPERAZIN-1-YL)CHROMANE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-01-06 WO 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-20010005753-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkylpiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands CHRNA6, HTR2C, HTR3C DRD4 28/4885DRD2 9/4885DRD3 22/4885
US-20020099056-A1 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkypiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands CHRNA6, HTR3C, HTR2C DRD4 28/4885DRD2 7/4885DRD3 21/4885

“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.