Fumaric Acid

Fumaric Acid

SCHEMBL4830650

CCCN1CCc2ccc3c(c21)CCS3.N.O=C(O)C=CC(=O)O

nearest known ligand 0.37

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
HTR1A known ✓ P08908 2/20 0.37
MEN1 known ✓ O00255 3/20 0.33
KMT2A known ✓ Q03164 3/20 0.33
LMNA P02545 3/20 0.37
PMP22 Q01453 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GFER P55789 1/20 0.37
INMT O95050 1/20 0.37
HTT P42858 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMAD3 P84022 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL4830630 0.89 MEN1 (0.36) MEN1KMT2AALDH1A1GRM5
Fumaric Acid SCHEMBL4830658 0.82 LMNA (0.55) LMNAPMP22NPSR1GFERINMT
Fumaric Acid SCHEMBL7543316 0.82 LMNA (0.55) LMNAPMP22NPSR1GFERINMT
Fumaric Acid SCHEMBL4830648 0.82 LMNA (0.55) LMNAPMP22NPSR1GFERINMT
Fumaric Acid SCHEMBL7543324 0.82 LMNA (0.55) LMNAPMP22NPSR1GFERINMT
Fumaric Acid SCHEMBL4824846 0.77 HTR2A (0.53) LMNAPMP22NPSR1GFERHTR1A
Fumaric Acid SCHEMBL4822643 0.76 HTR2A (0.55) LMNAPMP22NPSR1GFERHTR1A
SCHEMBL7493553 0.73 HTR2A (0.33)
Fumaric Acid SCHEMBL4830660 0.73 KDM4E (0.40) LMNAPMP22NPSR1GFERHTR1A
Fumaric Acid SCHEMBL7671704 0.70 LMNA (0.51) LMNAPMP22NPSR1GFERHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands VERNALIS RESEARCH LIMITED 2008-05-29 US disclosed
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-05-15 US disclosed
US-20080090858-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-04-17 US disclosed
US-7323473-B2 Administering (S)-1-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)-2-propylamine; serotonin receptor antagonists (5HT/5HT2C) for treatment of obesity VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-7323487-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-7323486-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-10 US disclosed
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 US disclosed
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 US disclosed
US-7173056-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-02-06 US disclosed
US-7166632-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 US disclosed
US-7166613-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 US disclosed
US-6962939-B1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2005-11-08 US disclosed
EP-1202964-B1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RES LTD (GB) 2005-10-12 EP disclosed
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-08 US disclosed
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-01 US disclosed
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED 2005-08-25 US disclosed
EP-1202964-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012602-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-02-22 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 (9 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-20080090858-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 763/4885KMT2A 1332/4885
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885
US-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands HTR2C, HTR2A, HTR5A HTR1A 5/4885MEN1 1151/4885KMT2A 1174/4885
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1A 3/4885MEN1 765/4885KMT2A 1337/4885

“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.