Oxalic Acid

Oxalic Acid

SCHEMBL340993

CC(C)Oc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCNCC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.75

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 1/20 0.58
HTR2A P28223 20/20 0.75
HTR2C P28335 3/20 0.58
ABCB11 O95342 1/20 0.58
CYP1A2 P05177 1/20 0.58
ADRB2 P07550 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
GPR183 P32249 1/20 0.58
CYP2C19 P33261 1/20 0.58
ADRA1A P35348 1/20 0.58
APLNR P35414 1/20 0.58
DRD3 P35462 1/20 0.58
CX3CR1 P49238 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58
GPR65 Q8IYL9 1/20 0.58

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
SCHEMBL6203103 0.97 HTR2A (0.79) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL3946598 0.97 HTR2A (0.79) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20766228 0.86 HTR2A (0.73) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL6203023 0.86 HTR2A (1.00) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL3946052 0.86 HTR2A (1.00) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL25570037 0.85 HTR2A (0.73) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL13191414 0.85 HTR2A (0.84) HTR2AHTR2CABCB11CYP1A2ADRB2
Hydrochloric Acid SCHEMBL4096940 0.85 HTR2A (1.00) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20778732 0.85 HTR2A (0.62) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20766306 0.83 HTR2A (0.62) HTR2AHTR2CABCB11CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-8097625-B2 Combination of sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression SUNOVION PHARMACEUTICALS INC. (US) 2012-01-17 US disclosed
EP-2343073-A2 Combination of a sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression Sepracor Inc. (US) 2011-07-13 EP disclosed
US-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2007-12-27 US disclosed
EP-1691811-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION Sepracor, Inc. (US) 2006-08-23 EP disclosed
US-20050176680-A1 Eszopiclone stimulates GABA receptors, and serotonin reuptake inhibitor (citalopram), norepinephrine reuptake inhibitor (desipramine), 5-HT2A modulator, or dopamine reuptake inhibitor (amineptine) SEPRACOR, INC. (US) 2005-08-11 US disclosed
WO-2005060968-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2005-07-07 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-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION HTR2A, HTR5A, HTR2C OPRM1 91/4885HTR2A 1/4885HTR2C 3/4885
US-20050176680-A1 Eszopiclone stimulates GABA receptors, and serotonin reuptake inhibitor (citalopram), norepinephrine reuptake inhibitor (desipramine), 5-HT2A modulator, or dopamine reuptake inhibitor (amineptine) HTR2A, HTR2C, HTR5A OPRM1 77/4885HTR2A 1/4885HTR2C 2/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C OPRM1 93/4885HTR2A 1/4885HTR2C 3/4885

“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.