Oxalic Acid

Oxalic Acid

SCHEMBL4217435

COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.61

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 12)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 3/20 0.61
SIGMAR1 Q99720 1/20 0.57
HTR2A P28223 1/20 0.55
CHRM2 P08172 3/20 0.54
CHRM3 P20309 3/20 0.54
CCR5 P51681 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4220408 0.98 OPRM1 (0.63) OPRM1SIGMAR1HTR2ACHRM2CHRM3
Hydrochloric Acid SCHEMBL4920052 0.97 OPRM1 (0.62) OPRM1SIGMAR1HTR2ACHRM2CHRM3
SCHEMBL339807 0.94 HTR2A (0.61) OPRM1SIGMAR1HTR2ACHRM2CHRM3
SCHEMBL342820 0.92 OPRM1 (0.59) OPRM1SIGMAR1HTR2ACHRM2CHRM3
SCHEMBL22426263 0.92 OPRM1 (0.59) OPRM1SIGMAR1HTR2ACHRM2CHRM3
SCHEMBL341425 0.90 HTR2A (0.57) OPRM1SIGMAR1HTR2ACHRM2CHRM3
SCHEMBL4207777 0.89 OPRM1 (0.67) OPRM1SIGMAR1HTR2ACHRM2CHRM3
Hydrochloric Acid SCHEMBL4206400 0.88 OPRM1 (0.77) OPRM1HTR2ACCR5
SCHEMBL340597 0.87 HTR2A (0.62) OPRM1HTR2ACCR5
SCHEMBL341892 0.87 OPRM1 (0.55) OPRM1SIGMAR1HTR2ACHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 US disclosed
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 US disclosed
US-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 US disclosed
US-9296694-B2 Azacyclic compounds ACADIA PHARMACEUTICALS INC. (US) 2016-03-29 US disclosed
US-20150259291-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS INC. 2015-09-17 US disclosed
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2011-12-08 US disclosed
US-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20060194834-A1 Azacyclic compounds ACADIA PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 US disclosed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 US disclosed
US-6756393-B2 AMIDES AND UREAS N-SUBSTITUTED WITH PIPERIDINE OR NORTROPANE; SEROTONIN INVERSE AGONISTS OR ANTAGONISTS; ANTIPSYCHOTIC ACADIA PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US disclosed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN disclosed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 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 (11 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-20150259291-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885HTR2A 10/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B OPRM1 73/4885SIGMAR1 208/4885HTR2A 1/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT OPRM1 211/4885SIGMAR1 376/4885HTR2A 6/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT OPRM1 211/4885SIGMAR1 376/4885HTR2A 6/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885HTR2A 10/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885HTR2A 10/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A OPRM1 98/4885SIGMAR1 220/4885HTR2A 3/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885HTR2A 10/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B OPRM1 73/4885SIGMAR1 208/4885HTR2A 1/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885HTR2A 10/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B OPRM1 193/4885SIGMAR1 125/4885HTR2A 1/4885

“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.