Maleic Acid

Maleic Acid

SCHEMBL6485443

Clc1cc2c3c(c1)c1c(n3CC2)CCNCC1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.52

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
HTR2C known ✓ P28335 9/20 0.52
HTR2A known ✓ P28223 7/20 0.38
SLC6A2 known ✓ P23975 2/20 0.31
SLC6A4 known ✓ P31645 2/20 0.31
ADRB1 known ✓ P08588 1/20 0.31
HTR2B known ✓ P41595 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.30
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
AVPR1A P37288 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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 SCHEMBL6485451 1.00 HTR2C (0.52) HTR2CHTR2ATP53MAPTMAPK1
SCHEMBL6508008 0.89 HTR2C (0.63) HTR2CHTR2ATP53MAPTMAPK1
Fumaric Acid SCHEMBL6484495 0.83 HTR2C (0.54) HTR2CHTR2ATP53MAPTMAPK1
Maleic Acid SCHEMBL6484489 0.83 HTR2C (0.54) HTR2CHTR2ATP53MAPTMAPK1
Fumaric Acid SCHEMBL6482536 0.80 HTR2C (0.36) HTR2CHTR2ATP53MAPTMAPK1
Maleic Acid SCHEMBL6482530 0.80 HTR2C (0.36) HTR2CHTR2ATP53MAPTMAPK1
Maleic Acid SCHEMBL6499039 0.78 HTR2C (0.37) HTR2CHTR2ATP53MAPTMAPK1
Fumaric Acid SCHEMBL6499043 0.78 HTR2C (0.37) HTR2CHTR2ATP53MAPTMAPK1
Oxalic Acid SCHEMBL6496558 0.76 HTR2C (0.44) HTR2CHTR2AHTR6KDM4EMEN1
Fumaric Acid SCHEMBL6495804 0.75 HTR2C (0.35) HTR2CHTR2AHTR6HTR2B

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-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 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 (3 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 HTR2C 22/4885HTR2A 34/4885SLC6A2 1150/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885SLC6A2 1307/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885SLC6A2 1307/4885

“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.