Fumaric Acid

Fumaric Acid

SCHEMBL5417065

CN(C)c1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)cc2)cc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.50

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
CHRM2 known ✓ P08172 7/20 0.44
CHRM3 known ✓ P20309 7/20 0.44
LSS P48449 1/20 0.50
CHRNA7 P36544 3/20 0.45
CHRM1 P11229 7/20 0.44
NR4A1 P22736 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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 SCHEMBL5417070 1.00 LSS (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL5408455 0.89 CHRNA7 (0.53) LSSCHRNA7CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL5420562 0.82 CHRNA7 (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL5420571 0.82 CHRNA7 (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL5430247 0.81 LSS (0.47) LSSCHRNA7BCHEACHE
Fumaric Acid SCHEMBL5430235 0.81 LSS (0.47) LSSCHRNA7BCHEACHE
Fumaric Acid SCHEMBL5410036 0.81 CHRNA7 (0.47) LSSCHRNA7
Fumaric Acid SCHEMBL5410033 0.81 CHRNA7 (0.47) LSSCHRNA7
SCHEMBL5420568 0.80 CHRM2 (0.50) LSSCHRNA7CHRM2CHRM1CHRM3
Fumaric Acid SCHEMBL5413582 0.79 LSS (0.47) LSSCHRNA7CHRM2CHRM1CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 US disclosed
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-06-23 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-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives CHRNA7, CHRNA9, CHRNA1 CHRM2 35/4885CHRM3 16/4885LSS 2291/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 CHRM2 35/4885CHRM3 16/4885LSS 2291/4885
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives CHRNA9, CHRNA7, CHRNA1 CHRM2 34/4885CHRM3 14/4885LSS 2158/4885

“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.