Fumaric Acid

Fumaric Acid

SCHEMBL5657218

O=C(O)C=CC(=O)O.O=C1c2ccc(Br)cc2CN1CC1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 10)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 4/20 0.49
HTR1A known ✓ P08908 2/20 0.49
HTR2C known ✓ P28335 3/20 0.41
SLC6A4 known ✓ P31645 1/20 0.39
DRD2 known ✓ P14416 1/20 0.39
HTR2B known ✓ P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.49
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
SIGMAR1 Q99720 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
Fumaric Acid SCHEMBL5657213 1.00 HTR2A (0.49) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5656376 0.93 HTR2A (0.52) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5656373 0.93 HTR2A (0.52) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5660934 0.90 HTR2A (0.49) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5660938 0.90 HTR2A (0.49) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5660135 0.87 HTR1A (0.49) HTR2AHTR1ATMEM97HTR2CSLC6A4
Fumaric Acid SCHEMBL5656452 0.87 HTR2A (0.47) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5660130 0.87 HTR1A (0.49) HTR2AHTR1ATMEM97HTR2CSLC6A4
Fumaric Acid SCHEMBL5656449 0.87 HTR2A (0.47) HTR2AHTR1ATMEM97HTR2CHTR7
Fumaric Acid SCHEMBL5248149 0.83 HTR2A (0.54) HTR2AHTR1ATMEM97HTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR2A 153/4885HTR1A 79/4885HTR2C 78/4885

“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.