Trimebutine

Trimebutine

SCHEMBL5011979

CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)C=CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Trimebutine. 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
KMT2A known ✓ Q03164 3/20 1.00
MEN1 known ✓ O00255 2/20 1.00
CHRM2 known ✓ P08172 1/20 0.90
ADRA2B known ✓ P18089 1/20 0.90
SLC6A4 known ✓ P31645 1/20 0.90
SLC6A3 known ✓ Q01959 1/20 0.90
KCNH2 known ✓ Q12809 1/20 0.90
MTOR known ✓ P42345 1/20 0.41
ALDH1A1 P00352 3/20 1.00
MAPT P10636 3/20 1.00
OPRM1 P35372 2/20 1.00
OPRD1 P41143 2/20 1.00
MAPK1 P28482 2/20 1.00
CYP3A4 P08684 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
LMNA P02545 1/20 1.00
HIF1A Q16665 1/20 1.00
PDE4D Q08499 2/20 0.90
NR1I2 O75469 1/20 0.90
ADORA3 P0DMS8 1/20 0.90

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
Trimebutine SCHEMBL67225 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AOPRM1OPRD1
Trimebutine SCHEMBL28274910 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AOPRM1OPRD1
Trimebutine SCHEMBL1652810 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AOPRM1OPRD1
Trimebutine SCHEMBL25705 0.95 OPRM1 (1.00) ALDH1A1MAPTKMT2AOPRM1OPRD1
Trimebutine SCHEMBL14273976 0.95 OPRM1 (1.00) ALDH1A1MAPTKMT2AOPRM1OPRD1
Trimebutine SCHEMBL7428847 0.94 OPRM1 (0.98) ALDH1A1MAPTKMT2AOPRM1OPRD1
SCHEMBL16522145 0.88 OPRM1 (0.88) ALDH1A1MAPTKMT2AOPRM1OPRD1
SCHEMBL14317655 0.86 OPRM1 (0.83) ALDH1A1MAPTKMT2AOPRM1OPRD1
Trimebutine SCHEMBL2017641 0.86 ALDH1A1 (0.74) ALDH1A1MAPTKMT2AOPRM1OPRD1
Maleic Acid SCHEMBL9832430 0.85 ALDH1A1 (0.74) ALDH1A1MAPTKMT2AOPRM1OPRD1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748489-B2 Solid pharmaceutical composition containing a combination of an intestinal motility regulating agent and an antiflatulent Procaps SAS (CO) 2014-06-10 US disclosed
US-20080038336-A1 Solid pharmaceutical composition containing a combination of an intestinal motility regulating agent and an antiflatulent ESQUEA MARTA LUZ TORRES 2008-02-14 US disclosed
US-7041704-B2 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1596844-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS Dynogen Pharmaceuticals Inc. (US) 2005-11-23 EP disclosed
EP-1589959-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS Dynogen Pharmaceuticals Inc. (US) 2005-11-02 EP disclosed
US-20050203190-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
US-20050107353-A1 Methods of treating lower urinary tract disorders using losigamone DYNOGEN PHARMACEUTICALS, INC. (US) 2005-05-19 US disclosed
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-28 US disclosed
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-21 US disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 US disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 EP disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP disclosed
US-4542042-A Process for preparing free-flowing ethylcellulose microcapsules TANABE SEIYAKU CO., LTD. (JP) 1985-09-17 US disclosed
US-4486471-A WATER-INSOLUBLE, ACID-SOLUBLE POLYMER TANABE SEIYAKU CO., LTD. (JP) 1984-12-04 US disclosed
US-4443497-A DISSOLVING, COATING, SOLVENTS, POLYMER, ETHYL CELLULOSE, ANTICOAGULANTS, DRUGS TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 US disclosed
EP-0099109-A1 Process for preparing free-flowing ethylcellulose microcapsules Tanabe Seiyaku Co., Ltd. (JP) 1984-01-25 EP disclosed
US-4389331-A Process for preparing pharmaceutically active compound-containing microcapsules TANABE SEIYAKU CO., LTD. (JP) 1983-06-21 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 (5 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-20050203190-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators SLC10A2, TRPV1, VIPR2 KMT2A 1957/4885MEN1 3421/4885CHRM2 1157/4885
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators SLC10A2, VIPR2, TRPV1 KMT2A 1939/4885MEN1 3469/4885CHRM2 1101/4885
US-20050107353-A1 Methods of treating lower urinary tract disorders using losigamone LPXN, TRPM5, SLC10A2 KMT2A 2750/4885MEN1 3365/4885CHRM2 1051/4885
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators CACNA1G, CACNA1D, CACNA1B KMT2A 2324/4885MEN1 4234/4885CHRM2 1011/4885
US-20080038336-A1 Solid pharmaceutical composition containing a combination of an intestinal motility regulating agent and an antiflatulent MLNR, TRIM33, OPRD1 KMT2A 2062/4885MEN1 4048/4885CHRM2 29/4885

“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.