Citric Acid

Citric Acid

SCHEMBL4980221

CN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)CN(C)c1ccc(F)cc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.40

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 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 2/20 0.35
OPRL1 P41146 13/20 0.40
SLC18A3 Q16572 2/20 0.35
FFAR1 O14842 3/20 0.35
CCR1 P32246 1/20 0.33

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 SCHEMBL4980228 1.00 OPRL1 (0.40) OPRL1SLC18A3SIGMAR1FFAR1CCR1
Citric Acid SCHEMBL4979593 0.93 OPRL1 (0.39) OPRL1SLC18A3SIGMAR1FFAR1
Citric Acid SCHEMBL4979598 0.93 OPRL1 (0.39) OPRL1SLC18A3SIGMAR1FFAR1
SCHEMBL4981363 0.92 OPRL1 (0.45) OPRL1SLC18A3SIGMAR1CCR1
SCHEMBL4981358 0.92 OPRL1 (0.45) OPRL1SLC18A3SIGMAR1CCR1
Citric Acid SCHEMBL4977561 0.87 OPRL1 (0.43) OPRL1
Citric Acid SCHEMBL4977555 0.87 OPRL1 (0.43) OPRL1
Citric Acid SCHEMBL4979813 0.87 OPRL1 (0.43) OPRL1SLC18A3SIGMAR1FFAR1
Citric Acid SCHEMBL4979815 0.87 OPRL1 (0.43) OPRL1SLC18A3SIGMAR1FFAR1
Citric Acid SCHEMBL4979346 0.87 OPRL1 (0.48) OPRL1SLC18A3SIGMAR1

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-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 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-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 SIGMAR1 26/4885OPRL1 1/4885SLC18A3 2071/4885

“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.