Maleic Acid

Maleic Acid

SCHEMBL4844528

COCCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)cc32)CCN1C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic 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)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 7/20 0.44
DRD1 known ✓ P21728 4/20 0.44
ADRA1D known ✓ P25100 4/20 0.44
HTR2A known ✓ P28223 4/20 0.44
HTR2C known ✓ P28335 4/20 0.44
ADRA1A known ✓ P35348 4/20 0.44
HRH1 known ✓ P35367 4/20 0.44
ADRA1B known ✓ P35368 4/20 0.44
HTR2B known ✓ P41595 4/20 0.44
ADRA2A known ✓ P08913 3/20 0.44
ADRA2B known ✓ P18089 3/20 0.44
ADRA2C known ✓ P18825 3/20 0.44
ADRB2 known ✓ P07550 1/20 0.42
HTR1A known ✓ P08908 1/20 0.42
SLC6A4 known ✓ P31645 1/20 0.42
CHRM1 P11229 10/20 0.44
CHRM2 P08172 4/20 0.44
CHRM4 P08173 4/20 0.44
CHRM5 P08912 4/20 0.44
CHRM3 P20309 4/20 0.44

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 SCHEMBL4844561 1.00 CHRM1 (0.44) CHRM1DRD2CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL4847915 0.96 CHRM1 (0.45) CHRM1DRD2CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL4847927 0.96 CHRM1 (0.45) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL14156733 0.93 CHRM1 (0.48) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL6207006 0.89 CHRM1 (0.49) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL14156732 0.89 CHRM1 (0.49) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL14156741 0.85 CHRM1 (0.38) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL14156754 0.83 DRD2 (0.42) CHRM1DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4844246 0.83 DRD2 (0.41) CHRM1DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4844260 0.83 DRD2 (0.41) CHRM1DRD2CHRM2CHRM4CHRM5

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 DRD2 7/4885DRD1 20/4885ADRA1D 43/4885

“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.