Fumaric Acid

Fumaric Acid

SCHEMBL4480512

FC(F)(F)c1ccccc1CN(CC1CCCCC1)[C@H]1CCNC1.O=C(O)C=CC(=O)O

nearest known ligand 0.80

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 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 20/20 0.80
SLC6A4 known ✓ P31645 20/20 0.80
SLC6A3 known ✓ Q01959 6/20 0.63
CHRM4 P08173 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM5 P08912 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
Fumaric Acid SCHEMBL4480509 1.00 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3CHRM4CYP3A4
Fumaric Acid SCHEMBL27641096 1.00 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3CHRM4CYP3A4
Fumaric Acid SCHEMBL4477235 0.95 SLC6A2 (0.88) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL4477241 0.95 SLC6A2 (0.88) SLC6A2SLC6A4SLC6A3
SCHEMBL4484034 0.91 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3CYP2D6
Fumaric Acid SCHEMBL5435518 0.90 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL5435512 0.90 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL5996388 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL5996393 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL4470309 0.88 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 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 (4 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-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 2/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 2/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 3/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A2 1/4885SLC6A4 2/4885SLC6A3 4/4885

“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.