Oxalic Acid

Oxalic Acid

SCHEMBL3539795

COc1ccc(Sc2ccc(C)cc2C2CCNCC2)cc1.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 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.41
HTR1A P08908 5/20 0.53
HTR3A P46098 5/20 0.53
SLC6A9 P48067 5/20 0.47
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 0.37
MMP14 P50281 1/20 0.37
HTR2C P28335 2/20 0.37

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
SCHEMBL3548315 0.93 HTR1A (0.59) HTR1AHTR3ASLC6A9SLC6A2SLC6A4
Oxalic Acid SCHEMBL3547675 0.91 HTR1A (0.46) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
Oxalic Acid SCHEMBL3541662 0.88 HTR1A (0.42) HTR1AHTR3ASLC6A9SLC6A2SLC6A4
SCHEMBL3541949 0.86 HTR1A (0.53) HTR1AHTR3ASLC6A9SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL5744789 0.85 HTR1A (0.44) HTR1AHTR3ASLC6A9SLC6A2SLC6A4
Oxalic Acid SCHEMBL3539024 0.85 HTR1A (0.49) HTR1AHTR3ASLC6A9SLC6A2SLC6A4
SCHEMBL3544140 0.83 HTR1A (0.52) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
Oxalic Acid SCHEMBL3545549 0.81 HTR1A (0.46) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3546735 0.81 HTR2C (0.51) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3551251 0.80 HTR1A (0.46) HTR1AHTR3ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
EP-1626720-B1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-09-03 EP disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 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 (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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 SLC6A4 14/4885HTR1A 11/4885HTR3A 22/4885

“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.