Oxalic Acid

Oxalic Acid

SCHEMBL954810

COc1cccc(CC2=NCCN2)c1OC(C)C.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 0.43
NISCH Q9Y2I1 5/20 0.47
TAAR1 Q96RJ0 5/20 0.46
HTR1B P28222 2/20 0.43
ADRA2A P08913 5/20 0.43
ADRA2B P18089 5/20 0.43
ADRA2C P18825 5/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ADRA1A P35348 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HTR1D P28221 2/20 0.40

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
SCHEMBL954699 0.93 NISCH (0.53) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL953395 0.82 TAAR1 (0.55) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL26078623 0.76 NISCH (0.58) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL954891 0.73 TAAR1 (0.76) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL4630286 0.72 TAAR1 (0.79) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL952502 0.71 TAAR1 (0.64) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL9440518 0.71 NISCH (0.50) NISCHTAAR1HTR1BADRA2AADRA2B
SCHEMBL3407322 0.70 CTSG (0.48) LMNAALDH1A1HPGD
Naphazoline SCHEMBL4968660 0.68 TAAR1 (0.74) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL4629856 0.68 TAAR1 (0.60) NISCHTAAR1HTR1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US 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 (1 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B OPRM1 648/4885NISCH 162/4885TAAR1 117/4885

“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.