Fumaric Acid

Fumaric Acid

SCHEMBL5841776

N#Cc1ccc(OCCCCN2CCN3CCCCC3C2)cc1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.53

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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 5)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 11/20 0.53
HRH1 known ✓ P35367 9/20 0.49
MEN1 known ✓ O00255 8/20 0.46
KMT2A known ✓ Q03164 1/20 0.46
HRH2 P25021 9/20 0.49

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 SCHEMBL5841769 1.00 HRH3 (0.53) HRH3HRH2HRH1MEN1KMT2A
Fumaric Acid SCHEMBL5841486 0.97 HRH3 (0.53) HRH3HRH2HRH1MEN1KMT2A
Fumaric Acid SCHEMBL5841476 0.97 HRH3 (0.53) HRH3HRH2HRH1MEN1KMT2A
Fumaric Acid SCHEMBL5842157 0.94 KCNA5 (0.49) HRH3HRH2HRH1MEN1
Fumaric Acid SCHEMBL5842146 0.94 KCNA5 (0.49) HRH3HRH2HRH1MEN1
SCHEMBL5842805 0.91 HRH3 (0.63) HRH3HRH2HRH1MEN1
Fumaric Acid SCHEMBL5841981 0.90 MGLL (0.50) HRH3HRH1
Fumaric Acid SCHEMBL5841985 0.90 MGLL (0.50) HRH3HRH1
SCHEMBL6976146 0.88 HRH3 (0.62) HRH3HRH2HRH1MEN1
Fumaric Acid SCHEMBL5842139 0.88 HRH3 (0.58) HRH3HRH2HRH1

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-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 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-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds CYP2W1, OXER1, IL1R1 HRH3 308/4885HRH1 93/4885MEN1 3131/4885

“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.