Fumaric Acid

Fumaric Acid

SCHEMBL6776362

CC1(C)CCc2cc(Cl)cc(N3CCN(CCc4c[nH]c5cc(Cl)ccc45)CC3)c2O1.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 18)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 5/20 0.45
KCNH2 known ✓ Q12809 5/20 0.40
HTR1A known ✓ P08908 3/20 0.36
MEN1 known ✓ O00255 1/20 0.35
KMT2A known ✓ Q03164 1/20 0.35
HTR6 P50406 5/20 0.40
FFAR4 Q5NUL3 1/20 0.39
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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 SCHEMBL6776359 1.00 DRD2 (0.45) DRD2HTR6KCNH2FFAR4HTR1A
SCHEMBL6593236 0.93 DRD2 (0.51) DRD2HTR6KCNH2HTR1ADRD3
Fumaric Acid SCHEMBL6593123 0.85 DRD2 (0.53) DRD2HTR6KCNH2HTR1AHTR7
Fumaric Acid SCHEMBL6772508 0.85 DRD2 (0.53) DRD2HTR6KCNH2HTR1AHTR7
SCHEMBL6590553 0.77 DRD2 (0.60) DRD2HTR6KCNH2HTR1AHTR7
SCHEMBL6590615 0.76 DRD2 (0.54) DRD2HTR6KCNH2HTR1A
SCHEMBL6587083 0.76 DRD2 (0.53) DRD2HTR6KCNH2HTR1AHTR7
Oxalic Acid SCHEMBL6776342 0.76 DRD2 (0.66) DRD2HTR6KCNH2HTR1A
Fumaric Acid SCHEMBL6783145 0.74 HTR6 (0.41) DRD2HTR6KCNH2HTR7DRD3
Fumaric Acid SCHEMBL6783149 0.74 HTR6 (0.41) DRD2HTR6KCNH2HTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US disclosed
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US disclosed
EP-1007523-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-14 EP disclosed
WO-1999005140-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-02-04 WO 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-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use TPH1, HTR1A, HTR3A DRD2 26/4885KCNH2 1191/4885HTR1A 2/4885

“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.