Fumaric Acid

Fumaric Acid

SCHEMBL1185751

O=C(O)/C=C/C(=O)O.O=c1n(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1C1=CCCCC1

nearest known ligand 0.53

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 5)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 2/20 0.41
HTR7 P34969 11/20 0.53
HTR1A P08908 4/20 0.43
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.40

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
SCHEMBL1186445 0.93 HTR7 (0.58) HTR7HTR1A
Fumaric Acid SCHEMBL1187325 0.86 HTR7 (0.49) HTR7DRD2DRD3
SCHEMBL1185143 0.78 HTR7 (0.52) HTR7DRD2DRD4
Fumaric Acid SCHEMBL1186320 0.78 TACR1 (0.52) HTR7HTR1ADRD2DRD4
SCHEMBL1492376 0.76 HTR7 (0.49) HTR7
SCHEMBL1492422 0.76 HTR7 (0.49) HTR7HTR1ADRD3
SCHEMBL1492353 0.76 HTR7 (0.49) HTR7HTR1ADRD2
SCHEMBL1492411 0.75 HTR7 (0.48) HTR7HTR1ADRD3
SCHEMBL1492377 0.72 LMNA (0.44) HTR7
SCHEMBL1185948 0.71 TACR1 (0.54) HTR7HTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028490-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE IN-HIBITORS NEUROSEARCH A/S (DK) 2011-02-03 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 (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-20110028490-A1 4-PHENYL-PIPERAZIN-1-YL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE IN-HIBITORS SLC18A2, SLC6A2, SLC18A3 DRD2 262/4885HTR7 104/4885HTR1A 13/4885

“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.