Oxalic Acid

Oxalic Acid

SCHEMBL7220302

COc1ccc2c(c1)C(CN1CC=C(c3c[nH]c4ccccc34)CC1)CC2.O=C(O)C(=O)O

nearest known ligand 0.56

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 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.56
DRD2 P14416 10/20 0.56
HTR2A P28223 4/20 0.56
DRD1 P21728 1/20 0.53
DRD3 P35462 1/20 0.53
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL7214414 0.95 HTR1A (0.62) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL7214663 0.81 KDM4E (0.61) HTR1ADRD2HTR2AKDM4ELMNA
SCHEMBL7220152 0.75 OPRM1 (0.51) HTR1ADRD2HTR2AKDM4ELMNA
SCHEMBL9630731 0.74 MTNR1A (0.51)
SCHEMBL7219472 0.74 HTR1D (0.48) HTR1ADRD2HTR2AKDM4ELMNA
SCHEMBL7213750 0.73 HTR1D (0.48) HTR1ADRD2HTR2AKDM4ELMNA
SCHEMBL6796026 0.73 HTR1D (0.48) HTR1ADRD2LMNAHTR1D
SCHEMBL6796662 0.73 OPRM1 (0.50) HTR1ADRD2
SCHEMBL5845471 0.73 HTR1A (0.63) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL6964820 0.72 HTR1A (0.61) HTR1ADRD2HTR2ADRD1DRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1A 5/4885DRD2 14/4885HTR2A 32/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1A 5/4885DRD2 14/4885HTR2A 32/4885

“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.