Pumosetrag

Pumosetrag

SCHEMBL390615

O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR3AHTR3BHTR3CHTR3DHTR3E

The experimentally established mechanism targets of Pumosetrag. 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
HTR3A known ✓ P46098 2/20 1.00
HTR3E known ✓ A5X5Y0 1/20 0.49
HTR3B known ✓ O95264 1/20 0.49
HTR3D known ✓ Q70Z44 1/20 0.49
HTR3C known ✓ Q8WXA8 1/20 0.49
CYP3A4 P08684 1/20 1.00
CHRNA7 P36544 3/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49

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
Pumosetrag SCHEMBL1299656 1.00 HTR3A (1.00) HTR3ACYP3A4CHRNA7HTR3EHTR3B
Pumosetrag SCHEMBL1299660 1.00 HTR3A (1.00) HTR3ACYP3A4CHRNA7HTR3EHTR3B
Pumosetrag SCHEMBL29406201 0.99 HTR3A (0.98) HTR3ACYP3A4CHRNA7HTR3EHTR3B
Pumosetrag SCHEMBL1497905 0.99 HTR3A (0.98) HTR3ACYP3A4CHRNA7HTR3EHTR3B
Pumosetrag SCHEMBL1497908 0.99 HTR3A (0.98) HTR3ACYP3A4CHRNA7HTR3EHTR3B
Pumosetrag SCHEMBL1299759 0.98 HTR3A (0.96) HTR3ACYP3A4CHRNA7HTR3EHTR3B
SCHEMBL1497938 0.96 HTR3A (0.92) HTR3ACYP3A4CHRNA7HTR3EHTR3B
SCHEMBL1497911 0.92 HTR3A (0.86) HTR3ACYP3A4CHRNA7HTR3EHTR3B
SCHEMBL1497977 0.84 HTR3A (0.72) HTR3ACYP3A4CHRNA7HTR3EHTR3B
SCHEMBL1497721 0.77 HTR3A (0.63) HTR3ACYP3A4CHRNA7HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-7897614-B2 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-01 US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE YAMAZAKI SATOSHI 2010-08-19 US claimed
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease YAMAZAKI SATOSHI 2010-08-12 US claimed
US-20100168157-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE YAMAZAKI SATOSHI 2010-07-01 US claimed
EP-1829543-B1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORP (JP) 2009-01-21 EP claimed
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease EDUSA PHARMACEUTICALS, INC. 2008-11-27 US claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
EP-1829543-A1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI PHARMA CORPORATION (JP) 2007-09-05 EP claimed
US-6967207-B2 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2005-11-22 US claimed
US-20050209270-A1 Use of 5HT3 agonists for relaxing the fundus MEULEMANS ANN LOUISE G 2005-09-22 US claimed
WO-2005074931-A1 PHARMACEUTICAL COMBINATIONS COMPRISING (S) -PANTOPRAZOLE ALTANA PHARMA AG (DE) 2005-08-18 WO claimed
US-20050119297-A1 Use of 5HT3 agonists for relaxing the fundus MEULEMANS ANN L G (BE) 2005-06-02 US claimed
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-17 US claimed
WO-2005021040-A2 COMPOSITIONS USEFUL FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-10 WO claimed
WO-2004105795-A1 PHARMACEUTICAL COMBINATIONS OF A PROTON PUMP INHIBITOR AND A COMPOUND WHICH MODIFIES GASTROINTESTINAL MOTILITY ALTANA PHARMA AG (DE) 2004-12-09 WO claimed
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 US claimed
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2003-07-10 US claimed
EP-1256581-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR GASTRIC OR ESOPHAGEAL REGURGITATION Mitsubishi Pharma Corporation (JP) 2002-11-13 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100168157-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR HTR3A 798/4885HTR3E 975/4885HTR3B 1157/4885
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 HTR3A 25/4885HTR3E 173/4885HTR3B 266/4885
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A HTR3A 3/4885HTR3E 5/4885HTR3B 4/4885
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR HTR3A 798/4885HTR3E 975/4885HTR3B 1157/4885
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR HTR3A 798/4885HTR3E 975/4885HTR3B 1157/4885
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR HTR3A 798/4885HTR3E 975/4885HTR3B 1157/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 HTR3A 2210/4885HTR3E 3051/4885HTR3B 3401/4885

“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.