Fumaric Acid

Fumaric Acid

SCHEMBL1937089

CN1CCC(CCC(=O)N(C)c2ccc(Cl)c(Cl)c2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.40

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
MEN1 known ✓ O00255 1/20 0.37
KMT2A known ✓ Q03164 1/20 0.37
SLC6A2 known ✓ P23975 2/20 0.37
SLC6A4 known ✓ P31645 2/20 0.37
DRD2 known ✓ P14416 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
HRH1 known ✓ P35367 1/20 0.36
HTR4 Q13639 1/20 0.40
CCR2 P41597 1/20 0.40
NPC1 O15118 1/20 0.39
OPRK1 P41145 6/20 0.39
UTS2R Q9UKP6 4/20 0.39
TACR2 P21452 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL1936605 0.93 HTR4 (0.44) HTR4CCR2NPC1OPRK1UTS2R
Fumaric Acid SCHEMBL1934781 0.89 CCR2 (0.39) CCR2OPRK1UTS2RSLC6A2SLC6A4
Fumaric Acid SCHEMBL1936426 0.88 HTR4 (0.39) HTR4CCR2NPC1OPRK1UTS2R
Fumaric Acid SCHEMBL1937621 0.86 SLC6A4 (0.43) HTR4SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL1936521 0.86 ACHE (0.41) HTR4CCR2UTS2RTACR2HRH1
SCHEMBL2397352 0.82 OPRK1 (0.42) CCR2OPRK1UTS2RMEN1KMT2A
Fumaric Acid SCHEMBL2548804 0.82 CCR5 (0.38) HTR4TACR2SLC6A2SLC6A4SLC6A3
SCHEMBL1937237 0.80 HTR4 (0.43) HTR4OPRK1UTS2RTACR2SLC6A2
Fumaric Acid SCHEMBL1937182 0.79 HTR4 (0.37) HTR4NPC1LMNAMAPK1DRD2
Fumaric Acid SCHEMBL27834013 0.79 HTR4 (0.37) HTR4NPC1LMNAMAPK1DRD2

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-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER NEUROSEARCH A/S (DK) 2011-09-08 US disclosed
EP-2331504-A2 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER NeuroSearch A/S (DK) 2011-06-15 EP 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-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER SLC18A2, SLC1A2, PNMT MEN1 2706/4885KMT2A 1046/4885SLC6A2 5/4885

“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.