Oxalic Acid

Oxalic Acid

SCHEMBL2540168

COc1cc2c(CCN)c[nH]c2cc1F.O=C(O)C(=O)O

nearest known ligand 0.67

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 1/20 0.48
HTR2B P41595 2/20 0.67
HTR1A P08908 4/20 0.63
MTNR1A P48039 6/20 0.63
MTNR1B P49286 5/20 0.60
CYP1A2 P05177 5/20 0.51
HTR2A P28223 4/20 0.51
HTR7 P34969 3/20 0.51
HTR1D P28221 3/20 0.51
HTR1B P28222 3/20 0.51
NFKB1 P19838 2/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
TSHR P16473 2/20 0.51
HTR2C P28335 2/20 0.51
HTR6 P50406 2/20 0.51
MAPT P10636 1/20 0.51
HTR4 Q13639 1/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 3/20 0.50

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
SCHEMBL2534666 0.92 HTR1A (0.72) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL31291665 0.83 HTR2B (0.64) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL7850885 0.82 HTR2A (0.63) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
Hydrochloric Acid SCHEMBL7683721 0.81 NPSR1 (0.64) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL1772618 0.80 HTR2B (1.00) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL31236315 0.80 HTR2A (0.57) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL12067610 0.80 CYP1A2 (0.64) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL17211932 0.79 HTR1A (0.54) HTR2BHTR1AMTNR1ACYP1A2HTR2A
SCHEMBL18239714 0.78 MTNR1A (0.81) HTR2BHTR1AMTNR1AMTNR1BCYP1A2
SCHEMBL1196782 0.78 HTR2B (0.61) HTR2BHTR1AMTNR1AMTNR1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (3 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B SLC6A4 22/4885HTR2B 12/4885HTR1A 6/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B SLC6A4 22/4885HTR2B 12/4885HTR1A 6/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B SLC6A4 22/4885HTR2B 12/4885HTR1A 6/4885

“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.