Citric Acid

Citric Acid

SCHEMBL2782964

CN(C)C1(c2ccccc2)CCC(CNC(=O)N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.45

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 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 2/20 0.43
▸ CHRM4 P08173 2/20 0.45
▸ OPRL1 P41146 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HSD11B1 P28845 3/20 0.40
▸ CCR2 P41597 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ AVPR1A P37288 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL2780254 0.93 OPRM1 (0.49) CHRM4OPRM1OPRL1OPRK1HSD11B1
Citric Acid SCHEMBL2782615 0.92 HSD11B1 (0.51) CHRM4OPRM1OPRL1OPRK1HSD11B1
Citric Acid SCHEMBL2783091 0.91 CHRM4 (0.52) CHRM4OPRM1OPRL1HSD11B1CCR2
Citric Acid SCHEMBL2782100 0.90 CHRM4 (0.42) CHRM4HSD11B1CCR2SLC6A4
Citric Acid SCHEMBL4703004 0.90 OPRL1 (0.41) CHRM4OPRM1OPRL1OPRK1HSD11B1
Citric Acid SCHEMBL2783385 0.87 HSD11B1 (0.51) CHRM4OPRM1OPRL1HSD11B1CCR2
Citric Acid SCHEMBL2778369 0.84 HSD11B1 (0.51) OPRM1OPRL1HSD11B1
SCHEMBL2782154 0.84 HSD11B1 (0.58) CHRM4OPRM1OPRL1OPRK1HSD11B1
Citric Acid SCHEMBL2779516 0.84 HSD11B1 (0.47) CHRM4OPRM1OPRL1HSD11B1CCR2
SCHEMBL2778462 0.83 CHRM4 (0.57) CHRM4OPRM1OPRL1HSD11B1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759385-B2 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2010-07-20 — — US disclosed
US-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2005-12-15 — — 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-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands OPRL1, OPRM1, OGFRL1 OPRM1 2/4885CHRM4 120/4885OPRL1 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.

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