Fumaric Acid

Fumaric Acid

SCHEMBL1934728

CCN(C(=O)CC1CCN(C)CC1)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.60

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 13)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 1/20 0.39
HRH1 known ✓ P35367 1/20 0.39
HTR2A known ✓ P28223 1/20 0.38
HTR2C known ✓ P28335 1/20 0.38
ALDH1A1 P00352 5/20 0.60
TSHR P16473 2/20 0.60
KDM4E B2RXH2 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC18A3 Q16572 2/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL1936794 0.94 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EL3MBTL1SIGMAR1
Fumaric Acid SCHEMBL1934763 0.83 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EHRH1
Fumaric Acid SCHEMBL2396770 0.80 HRH1 (0.39) ALDH1A1KDM4EHRH1HTR1A
SCHEMBL1936657 0.79 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL1935529 0.78 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EL3MBTL1SIGMAR1
Fumaric Acid SCHEMBL2395183 0.78 HRH1 (0.36) ALDH1A1TSHRKDM4EL3MBTL1LMNA
Fumaric Acid SCHEMBL1935979 0.77 HRH1 (0.40) ALDH1A1KDM4EL3MBTL1LMNANPSR1
Fumaric Acid SCHEMBL1936654 0.77 HRH1 (0.40) ALDH1A1TSHRKDM4EL3MBTL1LMNA
Fumaric Acid SCHEMBL2396810 0.77 CYP1A2 (0.42) ALDH1A1TSHRKDM4EL3MBTL1LMNA
Fumaric Acid SCHEMBL1936259 0.76 HRH1 (0.44) L3MBTL1LMNAHRH1

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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US disclosed
EP-2331505-A2 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KMT2A 817/4885HRH1 244/4885HTR2A 35/4885

“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.