Maleic Acid

Maleic Acid

SCHEMBL6795970

CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12.O=C(O)/C=C\C(=O)O

nearest known ligand 0.81

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 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 19/20 0.81
SLC6A2 known ✓ P23975 2/20 0.57
SLC6A3 known ✓ Q01959 2/20 0.57
HTR2A known ✓ P28223 2/20 0.50
HTR2C known ✓ P28335 1/20 0.50
HTR2B known ✓ P41595 1/20 0.50
HTR1A known ✓ P08908 1/20 0.47
DRD1 known ✓ P21728 1/20 0.47
HTR1B P28222 1/20 0.47

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 SCHEMBL6795972 1.00 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6613379 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6614117 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6614294 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6797890 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
Fumaric Acid SCHEMBL6799677 0.85 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3
Maleic Acid SCHEMBL6799675 0.85 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3
SCHEMBL6643258 0.80 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6800927 0.80 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL6643261 0.80 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 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 (2 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 SLC6A4 16/4885SLC6A2 85/4885SLC6A3 46/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885SLC6A2 48/4885SLC6A3 34/4885

“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.