Fumaric Acid

Fumaric Acid

SCHEMBL3325519

Clc1cccc(Oc2ccccc2C[C@H]2CNCCO2)c1Cl.O=C(O)C=CC(=O)O

nearest known ligand 0.45

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 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 16/20 0.45
SLC6A4 known ✓ P31645 8/20 0.45
SLC6A3 known ✓ Q01959 6/20 0.45
HRH1 known ✓ P35367 2/20 0.39
ADRB2 known ✓ P07550 1/20 0.39
HTR1A known ✓ P08908 1/20 0.39
HTR2A known ✓ P28223 1/20 0.39
ADRA1A known ✓ P35348 1/20 0.39
HTR2B known ✓ P41595 1/20 0.39
ADRA2C known ✓ P18825 1/20 0.39
CXCL8 P10145 1/20 0.38
CYP2D6 P10635 1/20 0.36

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 SCHEMBL3329051 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HRH1ADRB2
Fumaric Acid SCHEMBL3334061 0.88 HRH1 (0.42) SLC6A2SLC6A4SLC6A3HRH1ADRB2
Fumaric Acid SCHEMBL3329871 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HRH1ADRB2
Fumaric Acid SCHEMBL3329876 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HRH1ADRB2
Fumaric Acid SCHEMBL3325571 0.82 ADRA2C (0.47) SLC6A2SLC6A4SLC6A3HRH1HTR2B
Fumaric Acid SCHEMBL5184411 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HRH1ADRA2C
Fumaric Acid SCHEMBL3329522 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HRH1ADRB2
SCHEMBL3325239 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HRH1ADRB2
Fumaric Acid SCHEMBL3333941 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HRH1HTR1A
Fumaric Acid SCHEMBL10846787 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HRH1ADRB2

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 114/4885SLC6A3 104/4885
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 350/4885SLC6A3 729/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B SLC6A2 109/4885SLC6A4 113/4885SLC6A3 98/4885

“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.