Fumaric Acid

Fumaric Acid

SCHEMBL4254252

COc1cc2c(cc1OC)CCN(C(=O)CCN(C)CC1Cc3c1cc(OC)c(OC)c3OC)CC2.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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.45
HTR1A known ✓ P08908 1/20 0.45
SLC6A4 known ✓ P31645 1/20 0.45
KCNH2 known ✓ Q12809 1/20 0.45
KMT2A known ✓ Q03164 3/20 0.40
MEN1 known ✓ O00255 1/20 0.40
DRD1 known ✓ P21728 2/20 0.40
DRD2 known ✓ P14416 1/20 0.36
DRD3 P35462 1/20 0.45
HCN4 Q9Y3Q4 1/20 0.45
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
MTNR1B P49286 4/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 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 SCHEMBL4254247 1.00 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3142801 0.95 CHRM2 (0.49) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4245795 0.89 CHRM2 (0.56) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4245791 0.89 CHRM2 (0.56) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4251186 0.85 CHRM2 (0.52) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4243074 0.85 CHRM2 (0.52) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3162817 0.84 DRD3 (0.46) CHRM2HTR1ASLC6A4DRD3KCNH2
Hydrochloric Acid SCHEMBL4246618 0.84 DRD3 (0.46) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL301711 0.83 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3154423 0.83 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2

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-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 CHRM2 72/4885HTR1A 61/4885SLC6A4 902/4885

“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.