Fumaric Acid

Fumaric Acid

SCHEMBL1178258

CN1C2CCC1CC(Oc1ncc3ccccc3n1)C2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.46
CHRM2 known ✓ P08172 2/20 0.46
CHRM3 known ✓ P20309 2/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
HTR3E A5X5Y0 6/20 0.44
HTR3B O95264 6/20 0.44
HTR3A P46098 6/20 0.44
HTR3D Q70Z44 6/20 0.44
HTR3C Q8WXA8 6/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1177572 0.90 SLC6A2 (0.52) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1177568 0.90 SLC6A2 (0.52) SLC6A2SLC6A3CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL1178177 0.82 HTR3E (0.50) SLC6A2SLC6A3CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL1177511 0.81 HTR3E (0.49) SLC6A2SLC6A3CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL1177575 0.79 HMOX1 (0.45) SLC6A2SLC6A3CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL1177484 0.77 SLC6A2 (0.47) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1178259 0.76 HCRTR2 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL1177745 0.76 SLC6A2 (0.46) SLC6A2SLC6A3CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL1178140 0.76 SLC6A2 (0.46) SLC6A2SLC6A3CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL1178438 0.74 OPRK1 (0.48) SLC6A2SLC6A3CHRM2CHRM4CHRM5

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-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-05-12 US disclosed
US-7888358-B2 Serotonine, dopamine and norendrenaline receptors; antidepressants, anxiolytic agents, eating disorders; obesity; bipolar; drug abuse; neurodegenerative diseases NEUROSEARCH A/S (DK) 2011-02-15 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-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885CHRM2 199/4885CHRM3 372/4885

“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.