Citric Acid

Citric Acid

SCHEMBL7044834

CNC(=O)CN1CCCN(C2CCN(CC[C@H](CN(C)C(=O)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)C1=O.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 3)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 1/20 0.57
TACR2 P21452 20/20 0.58
TACR3 P29371 1/20 0.57

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
Citric Acid SCHEMBL7048901 0.93 TACR2 (0.56) TACR2
Citric Acid SCHEMBL5866413 0.93 TACR2 (0.56) TACR2
Citric Acid SCHEMBL7046430 0.92 TACR2 (0.59) TACR2
Citric Acid SCHEMBL6684183 0.92 TACR2 (0.62) TACR2
Citric Acid SCHEMBL8547290 0.92 TACR2 (0.62) TACR2
Citric Acid SCHEMBL7046591 0.90 TACR2 (0.57) TACR2TACR1TACR3
Citric Acid SCHEMBL7050400 0.90 TACR2 (0.64) TACR2TACR1
SCHEMBL5866423 0.86 TACR2 (0.61) TACR2
SCHEMBL1387915 0.85 TACR2 (0.70) TACR2
SCHEMBL1387917 0.85 TACR2 (0.70) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-6444809-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2002-09-03 US disclosed
US-6124279-A NEUROKININ A ANTAGONISTS, ANTIASTHMATIC AGENTS ZENECA LIMITED (GB) 2000-09-26 US disclosed
US-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 WO 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-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 TACR1 21/4885TACR2 3/4885TACR3 31/4885

“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.