Fumaric Acid

Fumaric Acid

SCHEMBL1936259

CCN(C(=O)CC1CCN(C)CC1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.44

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 8)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 1/20 0.44
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2396182 0.93 CYP3A4 (0.44) CYP3A4CNR2
Fumaric Acid SCHEMBL1935961 0.89 HRH1 (0.38) HRH1L3MBTL1SMN1; SMN2LMNATP53
Fumaric Acid SCHEMBL2396810 0.87 CYP1A2 (0.42) HRH1CYP3A4L3MBTL1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL1936311 0.85 DRD2 (0.35) HRH1L3MBTL1SMN1; SMN2LMNATP53
Fumaric Acid SCHEMBL2394308 0.85 PGR (0.35) HRH1L3MBTL1SMN1; SMN2LMNATP53
Fumaric Acid SCHEMBL1936654 0.85 HRH1 (0.40) HRH1L3MBTL1SMN1; SMN2LMNATP53
Fumaric Acid SCHEMBL1935979 0.85 HRH1 (0.40) HRH1CYP3A4L3MBTL1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL1937050 0.84 OPRM1 (0.35) HRH1
Fumaric Acid SCHEMBL2396770 0.83 HRH1 (0.39) HRH1SMN1; SMN2
Fumaric Acid SCHEMBL2395183 0.81 HRH1 (0.36) HRH1L3MBTL1SMN1; SMN2LMNATP53

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 3 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
CN-102131779-A Piperidine-4-acetamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN 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 HRH1 244/4885CYP3A4 491/4885L3MBTL1 4852/4885

“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.