Citric Acid

Citric Acid

SCHEMBL2497145

CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.62

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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 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.62
HRH3 Q9Y5N1 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
SCHEMBL15338312 0.89 HRH4 (0.77) HRH4HRH3
SCHEMBL605883 0.89 HRH4 (0.77) HRH4HRH3
Citric Acid SCHEMBL2503367 0.87 HRH4 (0.75) HRH4HRH3
Citric Acid SCHEMBL2500409 0.86 HRH4 (0.54) HRH4
Citric Acid SCHEMBL2495954 0.85 HRH4 (0.76) HRH4
Citric Acid SCHEMBL2497242 0.83 HRH4 (0.76) HRH4
Trifluoroacetic Acid SCHEMBL2496999 0.82 HRH4 (0.84) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2497515 0.82 HRH4 (0.83) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2495690 0.80 HRH4 (0.84) HRH4HRH3
Citric Acid SCHEMBL2495361 0.79 HRH4 (0.79) HRH4

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-2040549-B1 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8030321-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2011-10-04 US disclosed
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor CHAVEZ FRANK 2009-12-31 US disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 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 (2 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-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 HRH4 1/4885HRH3 4/4885
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 HRH4 1/4885HRH3 4/4885

“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.