Oxalic Acid

Oxalic Acid

SCHEMBL3550835

CN1CCCC(Oc2ccc3c(c2)CN(CC2CCCCC2)CC3)CC1.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 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
ACACB O00763 2/20 0.45
PRMT5 O14744 8/20 0.45
WDR77 Q9BQA1 8/20 0.45
HRH1 P35367 2/20 0.44
NAMPT P43490 1/20 0.42
CYP2D6 P10635 2/20 0.41

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
SCHEMBL2561968 0.95 HRH3 (0.61) HRH3ACACBPRMT5WDR77HRH1
Oxalic Acid SCHEMBL3548999 0.86 HRH3 (0.42) HRH3ACACBPRMT5WDR77NAMPT
SCHEMBL2561454 0.81 HRH3 (0.46) HRH3ACACBPRMT5WDR77CYP2D6
SCHEMBL2560214 0.81 HRH3 (0.45) HRH3PRMT5WDR77HRH1
SCHEMBL2564105 0.80 ACACB (0.52) HRH3ACACBPRMT5WDR77
SCHEMBL2560796 0.79 DRD2 (0.50) HRH3ACACBPRMT5WDR77CYP2D6
Oxalic Acid SCHEMBL3553401 0.79 HRH3 (0.64) HRH3HRH1CYP2D6
SCHEMBL2566679 0.79 ACACB (0.46) HRH3ACACBPRMT5WDR77CYP2D6
SCHEMBL3550839 0.78 ROCK1 (0.38) HRH3PRMT5WDR77CYP2D6
SCHEMBL2567353 0.77 HRH3 (0.67) HRH3HRH1CYP2D6

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-7678807-B2 Isoquinoline and benzo[H] isoquinoline derivatives, preparation and therapeutic use thereof as antagonists of the histamine H3 receptor SANOFI-AVENTIS (FR) 2010-03-16 US disclosed
US-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR SANOFI-AVENTIS (FR) 2008-10-30 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-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH1, HRH2 HRH3 1/4885ACACB 4456/4885PRMT5 459/4885

“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.