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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 12/20 | 0.56 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.48 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.48 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7260321 | 1.00 | HTR4 (0.56) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL7264897 | 1.00 | HTR4 (0.56) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL7260329 | 0.96 | HTR4 (0.61) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL6276809 | 0.96 | HTR4 (0.61) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL7261606 | 0.96 | HTR4 (0.61) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL6768761 | 0.87 | HTR4 (0.56) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL6588346 | 0.85 | HTR4 (0.61) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL6583375 | 0.83 | HTR4 (0.64) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL6583145 | 0.83 | HTR4 (0.73) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL7125620 | 0.82 | CYP3A4 (0.61) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1362857-B1 | (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders | DAINIPPON PHARMACEUTICAL CO (JP) | 2004-08-11 | — | — | EP | claimed |
| US-6696468-B2 | GASTROINTESTINAL MOTILITY ENHANCER OR PROKINETIC AGENT; AFFINITY FOR 5-HT4 RECEPTOR; REDUCED SIDE EFFECTS TO HEART OR CENTRAL NERVOUS SYSTEM | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-02-24 | — | — | US | claimed |
| US-20030216433-A1 | (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2003-11-20 | — | — | US | claimed |
| EP-1362857-B1 | (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders | DAINIPPON PHARMACEUTICAL CO (JP) | 2004-08-11 | — | — | EP | disclosed |
| US-6696468-B2 | GASTROINTESTINAL MOTILITY ENHANCER OR PROKINETIC AGENT; AFFINITY FOR 5-HT4 RECEPTOR; REDUCED SIDE EFFECTS TO HEART OR CENTRAL NERVOUS SYSTEM | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-02-24 | — | — | US | disclosed |
| US-20030216433-A1 | (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2003-11-20 | — | — | US | disclosed |
| EP-1362857-A1 | (S)-4-amino-5-chloro-2-methoxy-n-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinymethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders | Dainippon Pharmaceutical Co., Ltd. (JP) | 2003-11-19 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030216433-A1 | (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | GIPR, MLNR, HTR5A | HTR4 4/4885ADRA2A 63/4885DRD2 12/4885 |
“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.