Sugi Predict

Sugi Predict / Compounds / Oxalic Acid

Oxalic Acid

Oxalic Acid

SCHEMBL4208908

Cc1ccc(CN(C(=O)NCc2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.63

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 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 2/20 0.59
▸ SLC2A1 P11166 2/20 0.58
▸ CHRM2 P08172 1/20 0.57
▸ CHRM3 P20309 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ BACE1 P56817 1/20 0.57
▸ MCHR1 Q99705 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ GFER P55789 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ CCR5 P51681 1/20 0.53
▸ UBE2M P61081 2/20 0.53
▸ DCUN1D1 Q96GG9 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ THRB P10828 1/20 0.51

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
SCHEMBL7091708 0.98 OPRM1 (0.61) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL4211121 0.98 OPRM1 (0.61) OPRM1SLC2A1CHRM2CHRM3ACHE
Hydrochloric Acid SCHEMBL4207721 0.97 OPRM1 (0.60) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL340490 0.93 UBE2M (0.61) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL340505 0.92 ACHE (0.55) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL3707074 0.92 ACHE (0.55) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL5540777 0.87 SLC2A1 (0.50) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL341808 0.87 SLC2A1 (0.50) OPRM1SLC2A1CHRM2CHRM3ACHE
SCHEMBL5329449 0.87 HTR2A (0.59) OPRM1CHRM2PKMCCR5UBE2M
SCHEMBL340169 0.87 HTR2A (0.59) OPRM1CHRM2PKMCCR5UBE2M

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 15 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
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 210/4885SLC2A1 1598/4885CHRM2 136/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B OPRM1 73/4885SLC2A1 949/4885CHRM2 154/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT OPRM1 211/4885SLC2A1 3419/4885CHRM2 130/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT OPRM1 211/4885SLC2A1 3419/4885CHRM2 130/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SLC2A1 1598/4885CHRM2 136/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SLC2A1 1598/4885CHRM2 136/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A OPRM1 98/4885SLC2A1 2302/4885CHRM2 169/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SLC2A1 1598/4885CHRM2 136/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B OPRM1 73/4885SLC2A1 949/4885CHRM2 154/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT OPRM1 210/4885SLC2A1 1598/4885CHRM2 136/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B OPRM1 193/4885SLC2A1 1672/4885CHRM2 362/4885

“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.