Fumaric Acid

Fumaric Acid

SCHEMBL2388946

CCN(C(=O)CCC1CCNCC1)c1ccc(Br)c(Cl)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.39

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 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 15/20 0.39
SLC6A2 known ✓ P23975 13/20 0.39
SLC6A3 Q01959 2/20 0.39
PDK1 Q15118 1/20 0.37
HTR4 Q13639 1/20 0.36
TACR1 P25103 1/20 0.34

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
Fumaric Acid SCHEMBL27834011 1.00 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3PDK1HTR4
SCHEMBL1936902 0.94 PDK1 (0.40) SLC6A4SLC6A2SLC6A3PDK1HTR4
Fumaric Acid SCHEMBL1937560 0.91 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3PDK1HTR4
Fumaric Acid SCHEMBL1936564 0.90 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3PDK1TACR1
Fumaric Acid SCHEMBL1937182 0.87 HTR4 (0.37) HTR4
Fumaric Acid SCHEMBL27834013 0.87 HTR4 (0.37) HTR4
Fumaric Acid SCHEMBL2548144 0.85 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3PDK1TACR1
SCHEMBL1937662 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3PDK1HTR4
SCHEMBL2396274 0.83 PDK1 (0.39) SLC6A4SLC6A2SLC6A3PDK1TACR1
Fumaric Acid SCHEMBL1937241 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3PDK1TACR1

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-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER NEUROSEARCH A/S (DK) 2011-09-08 US disclosed
CN-102131780-A Novel piperidine-propionamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN 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-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER SLC18A2, SLC1A2, PNMT SLC6A4 4/4885SLC6A2 5/4885SLC6A3 9/4885

“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.