Fumaric Acid

Fumaric Acid

SCHEMBL3329871

Fc1cc(F)c(Cl)c(Oc2ccccc2C[C@H]2CNCCO2)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.41

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 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 15/20 0.41
SLC6A4 known ✓ P31645 13/20 0.40
HTR2A known ✓ P28223 3/20 0.38
ADRB2 known ✓ P07550 1/20 0.38
HTR2B known ✓ P41595 1/20 0.38
HRH1 known ✓ P35367 3/20 0.36
SLC6A3 Q01959 6/20 0.40
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA2C P18825 1/20 0.38

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 SCHEMBL3329876 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Fumaric Acid SCHEMBL3325519 0.84 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Fumaric Acid SCHEMBL3334061 0.84 HRH1 (0.42) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Fumaric Acid SCHEMBL3329522 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Fumaric Acid SCHEMBL3329051 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Fumaric Acid SCHEMBL5184411 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ADRA2CHRH1
Fumaric Acid SCHEMBL3325571 0.80 ADRA2C (0.47) SLC6A2SLC6A4SLC6A3HTR2BADRA2C
Fumaric Acid SCHEMBL3333941 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR1AHRH1
Fumaric Acid SCHEMBL3329877 0.75 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3325239 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AADRB2

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-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 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 (3 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 SLC6A2 133/4885SLC6A4 114/4885HTR2A 108/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 SLC6A2 201/4885SLC6A4 350/4885HTR2A 30/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B SLC6A2 109/4885SLC6A4 113/4885HTR2A 54/4885

“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.