Citric Acid

Citric Acid

SCHEMBL4765443

CN(C)C1(c2ccccn2)CCC2(CC1)OCCc1c2[nH]c2ccccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 19/20 0.58
OGFRL1 Q5TC84 14/20 0.58
OPRL1 P41146 9/20 0.58
OPRD1 P41143 3/20 0.58
OPRK1 P41145 3/20 0.58
LMNA P02545 1/20 0.36

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
SCHEMBL4762134 0.87 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL381145 0.84 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL4763250 0.83 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL4827292 0.82 LMNA (0.36) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL4436232 0.80 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL1304800 0.80 OPRM1 (0.79) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL29597164 0.79 OPRM1 (0.77) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL700111 0.77 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL381361 0.75 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL4047655 0.75 OPRM1 (0.53) OPRM1OGFRL1OPRL1OPRD1OPRK1

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
EP-1725567-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR GRUENENTHAL GMBH (DE) 2008-03-26 EP claimed
US-7332519-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2008-02-19 US claimed
US-20050192333-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2005-09-01 US claimed
US-7332519-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2008-02-19 US disclosed
US-20050192333-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2005-09-01 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 (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-20050192333-A1 Spirocyclic cyclohexane compounds OPRL1, OPRK1, OPRD1 OPRM1 5/4885OGFRL1 6/4885OPRL1 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.