Oxalic Acid

Oxalic Acid

SCHEMBL3538229

Cc1ccc(Sc2ccc(F)cc2C)c(C2CCNCC2)c1.O=C(O)C(=O)O

nearest known ligand 0.45

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
SLC6A4 known ✓ P31645 6/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 3/20 0.45
HTR1A P08908 10/20 0.41
HTR3A P46098 8/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
HTR6 P50406 6/20 0.38
HTR2C P28335 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
HRH2 P25021 2/20 0.38
HTR1B P28222 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HRH1 P35367 2/20 0.38

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 SCHEMBL3546480 0.95 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3540648 0.93 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
Oxalic Acid SCHEMBL3545549 0.92 HTR1A (0.46) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3538118 0.88 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3549827 0.87 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HTR1AHTR6
SCHEMBL3546485 0.84 HTR1A (0.52) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
Trifluoroacetic Acid SCHEMBL5742626 0.84 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
Oxalic Acid SCHEMBL3547105 0.84 P2RY14 (0.41) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
SCHEMBL3548605 0.83 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3HTR1AHTR3A
Oxalic Acid SCHEMBL3547675 0.82 HTR1A (0.46) SLC6A4SLC6A2SLC6A3HTR1AHTR3A

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 14/4885SLC6A2 84/4885SLC6A3 61/4885

“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.