Oxalic Acid

Oxalic Acid

SCHEMBL3522834

O=C(O)C(=O)O.O=c1n(CCCN2C3CCC2CC(OCc2ccccc2F)C3)nc2ccc(Cl)nn12

nearest known ligand 0.66

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 2/20 0.31
▸ KCNH2 Q12809 10/20 0.66
▸ SCN5A Q14524 7/20 0.66
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.32
▸ FAAH O00519 2/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ OPRK1 P41145 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ OPRD1 P41143 1/20 0.31

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
SCHEMBL12012347 0.96 KCNH2 (0.71) KCNH2SCN5ACARM1PRMT6GPR139
Oxalic Acid SCHEMBL3523922 0.84 KCNH2 (0.92) KCNH2SCN5ADRD2DRD4HTR1A
Oxalic Acid SCHEMBL3518841 0.81 KCNH2 (0.64) KCNH2SCN5ACARM1PRMT6DRD2
SCHEMBL3522504 0.80 KCNH2 (1.00) KCNH2SCN5ADRD2DRD4HTR1A
Oxalic Acid SCHEMBL3525882 0.79 KCNH2 (0.87) KCNH2SCN5A
Oxalic Acid SCHEMBL3520564 0.78 KCNH2 (0.86) KCNH2SCN5A
Oxalic Acid SCHEMBL3538382 0.78 KCNH2 (0.59) KCNH2SCN5ACARM1PRMT6DRD2
Oxalic Acid SCHEMBL3518796 0.78 KCNH2 (0.59) KCNH2SCN5ACARM1PRMT6CHRNA7
SCHEMBL12012283 0.77 KCNH2 (0.68) KCNH2SCN5ACARM1PRMT6DRD2
SCHEMBL3523020 0.74 KCNH2 (0.64) KCNH2SCN5ACARM1PRMT6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 — — EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — 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 (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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 OPRM1 156/4885KCNH2 3/4885SCN5A 11/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 OPRM1 156/4885KCNH2 3/4885SCN5A 11/4885

“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.

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