Fumaric Acid

Fumaric Acid

SCHEMBL4248079

COc1cc2c(cc1OC)CCN(C(=O)CCN(C[C@H]1Cc3cc(OC)c(OC)cc31)C1CCCC1)CC2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.45
SLC6A4 known ✓ P31645 1/20 0.45
KCNH2 known ✓ Q12809 1/20 0.45
KMT2A known ✓ Q03164 2/20 0.37
HTR1A P08908 1/20 0.45
DRD3 P35462 1/20 0.45
HCN4 Q9Y3Q4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 2/20 0.37
MTNR1B P49286 3/20 0.37
NPC1 O15118 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 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 SCHEMBL4248087 1.00 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4245795 0.87 CHRM2 (0.56) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4245791 0.87 CHRM2 (0.56) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4250537 0.87 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4250550 0.87 CHRM2 (0.45) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4250868 0.81 HCRTR2 (0.47) CHRM2HTR1ASLC6A4DRD3KCNH2
Fumaric Acid SCHEMBL4250873 0.81 HCRTR2 (0.47) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL301711 0.81 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3154423 0.81 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3153236 0.81 CHRM2 (0.48) 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 72/4885SLC6A4 902/4885KCNH2 351/4885

“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.