Oxalic Acid

Oxalic Acid

SCHEMBL3323301

CNC(C)C/C=C/c1ccc(O)nc1.O=C(O)C(=O)O

nearest known ligand 0.53

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 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
GRIK1 P39086 12/20 0.37
GRIK2 Q13002 12/20 0.37
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
GRIK3 Q13003 1/20 0.34
P4HTM Q9NXG6 1/20 0.33
MASP2 O00187 1/20 0.33

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 SCHEMBL3323309 1.00 CHRNB2 (0.53) CHRNB2CHRNA4GRIK1GRIK2HTR1D
SCHEMBL3323019 0.93 CHRNB2 (0.60) CHRNB2CHRNA4GRIK1GRIK2
SCHEMBL3323013 0.93 CHRNB2 (0.60) CHRNB2CHRNA4GRIK1GRIK2
SCHEMBL3323305 0.77 CHRNB2 (0.52) CHRNB2CHRNA4GRIK1GRIK2MASP2
SCHEMBL3326239 0.76 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL3326235 0.76 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL3326232 0.76 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL3325047 0.73 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL3325052 0.73 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL620193 0.70 CHRNB2 (0.56) CHRNB2CHRNA4MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM S 2006-12-28 US disclosed
US-7045538-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2006-05-16 US disclosed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
US-20050148611-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM S (US) 2005-07-07 US disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 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 (4 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-20050148611-A1 Compounds capable of activating cholinergic receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885GRIK1 509/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885GRIK1 300/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885GRIK1 509/4885
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885GRIK1 509/4885

“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.