Maleic Acid

Maleic Acid

SCHEMBL4824577

Fc1ccc2[nH]c(CN3CCN(c4ccccn4)CC3)cc2c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.83

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 0.83
HTR1A known ✓ P08908 3/20 0.83
ADRA2A known ✓ P08913 1/20 0.83
ADRA2B known ✓ P18089 1/20 0.83
ADRA2C known ✓ P18825 1/20 0.83
HTR2A known ✓ P28223 1/20 0.46
HTR2C known ✓ P28335 1/20 0.46
DRD4 P21917 10/20 0.83
DRD3 P35462 6/20 0.83
OPRK1 P41145 2/20 0.83
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
HTR7 P34969 4/20 0.46
CYP3A4 P08684 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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 SCHEMBL4824588 1.00 DRD4 (0.83) DRD4DRD2DRD3HTR1AOPRK1
SCHEMBL4814827 0.91 DRD4 (1.00) DRD4DRD2DRD3HTR1AOPRK1
SCHEMBL4817050 0.87 DRD4 (0.92) DRD4DRD2DRD3HTR1AOPRK1
SCHEMBL6793139 0.79 DRD4 (0.77) DRD4DRD2DRD3HTR1AOPRK1
SCHEMBL30041333 0.79 DRD4 (0.77) DRD4DRD2DRD3HTR1AOPRK1
SCHEMBL6786631 0.79 DRD4 (0.77) DRD4DRD2DRD3HTR1AOPRK1
SCHEMBL28962388 0.76 DRD4 (0.72) DRD4DRD2DRD3HTR1AOPRK1
Abt-724 SCHEMBL4807361 0.75 DRD4 (0.81) DRD4DRD2OPRK1KDM4EALDH1A1
Abt-724 SCHEMBL4807347 0.75 DRD4 (0.81) DRD4DRD2OPRK1KDM4EALDH1A1
SCHEMBL4823138 0.75 HRH4 (0.63) DRD4DRD2DRD3HTR1AOPRK1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 US disclosed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 US disclosed
US-7235661-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2007-06-26 US disclosed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 US disclosed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 US disclosed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 US disclosed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 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-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD2 1129/4885HTR1A 293/4885ADRA2A 212/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 DRD2 66/4885HTR1A 362/4885ADRA2A 104/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC DRD2 63/4885HTR1A 642/4885ADRA2A 132/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD2 1129/4885HTR1A 293/4885ADRA2A 212/4885

“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.