Fumaric Acid

Fumaric Acid

SCHEMBL1177960

CN1C2CCC1CC(Oc1ccc3[nH]ccc3c1)C2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.47
MEN1 known ✓ O00255 1/20 0.39
KMT2A known ✓ Q03164 1/20 0.39
CHRM2 known ✓ P08172 1/20 0.39
CHRM3 known ✓ P20309 1/20 0.39
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.47
LTA4H P09960 1/20 0.46
CHRNA7 P36544 3/20 0.42
MAOA P21397 1/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39

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
SCHEMBL1177375 0.89 SLC6A2 (0.54) OPRK1SLC6A2SLC6A3LTA4HCHRNA7
SCHEMBL1177376 0.89 SLC6A2 (0.54) OPRK1SLC6A2SLC6A3LTA4HCHRNA7
Fumaric Acid SCHEMBL1178273 0.84 OPRK1 (0.52) OPRK1SLC6A2SLC6A3CYP2D6CHRM2
Fumaric Acid SCHEMBL1177590 0.82 OPRK1 (0.50) OPRK1SLC6A2SLC6A3HTR3ACHRM2
Fumaric Acid SCHEMBL1177531 0.82 OPRK1 (0.50) OPRK1SLC6A2SLC6A3CHRNA7HTR3E
Fumaric Acid SCHEMBL747319 0.81 CHRNA7 (0.46) OPRK1CHRNA7CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL745601 0.81 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL1177615 0.79 OPRK1 (0.52) OPRK1SLC6A2SLC6A3CHRNA7HTR3E
Fumaric Acid SCHEMBL1178204 0.79 OPRK1 (0.50) OPRK1SLC6A2SLC6A3CHRNA7HTR3E
Fumaric Acid SCHEMBL1178130 0.78 SLC6A2 (0.60) OPRK1SLC6A2SLC6A3CHRNA7HTR3E

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 3/4885MEN1 2969/4885KMT2A 643/4885

“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.