SCHEMBL1497936

SCHEMBL1497936

O=C(NC1CC2CCCN1CC2)c1c[nH]c2ccsc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.58
CYP3A4 P08684 1/20 0.58
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.34
BACE1 P56817 1/20 0.34
BTK Q06187 1/20 0.32
MAPT P10636 4/20 0.32
TP53 P04637 3/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1497788 0.96 HTR3A (0.62) HTR3ACYP3A4HTR3EHTR3BHTR3D
SCHEMBL1497787 0.89 HTR3A (0.61) HTR3ACYP3A4HTR3EHTR3BHTR3D
SCHEMBL1497977 0.79 HTR3A (0.72) HTR3ACYP3A4HTR3EHTR3BHTR3D
SCHEMBL1497851 0.76 CYP3A4 (0.37) HTR3ACYP3A4ALDH1A1KMT2ATSHR
SCHEMBL1497938 0.75 HTR3A (0.92) HTR3ACYP3A4HTR3EHTR3BHTR3D
SCHEMBL8296820 0.75 HTR3A (0.57) HTR3ACYP3A4HTR3EHTR3BHTR3D
SCHEMBL1497911 0.74 HTR3A (0.86) HTR3ACYP3A4HTR3EHTR3BHTR3D
Pumosetrag SCHEMBL390615 0.74 HTR3A (1.00) HTR3ACYP3A4HTR3EHTR3BHTR3D
Pumosetrag SCHEMBL1299656 0.74 HTR3A (1.00) HTR3ACYP3A4HTR3EHTR3BHTR3D
Pumosetrag SCHEMBL1299660 0.74 HTR3A (1.00) HTR3ACYP3A4HTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897614-B2 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-01 US disclosed
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE YAMAZAKI SATOSHI 2010-08-19 US disclosed
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease YAMAZAKI SATOSHI 2010-08-12 US disclosed
US-20100168157-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE YAMAZAKI SATOSHI 2010-07-01 US disclosed
EP-1829543-B1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORP (JP) 2009-01-21 EP disclosed
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease EDUSA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1829543-A1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI PHARMA CORPORATION (JP) 2007-09-05 EP disclosed
EP-1419772-B1 PREVENTIVE AGENT/REMEDIAL AGENT FOR CONSTIPATION PREDOMINANT IBS MITSUBISHI PHARMA CORP (JP) 2007-07-25 EP disclosed
EP-1256581-B1 PREVENTIVE OR THERAPEUTIC AGENTS FOR GASTRIC OR ESOPHAGEAL REGURGITATION MITSUBISHI PHARMA CORP (JP) 2007-03-28 EP disclosed
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-04 US disclosed
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease EDUSA PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease YAMAZAKI SATOSHI 2005-12-22 US disclosed
US-6967207-B2 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2005-11-22 US disclosed
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 US disclosed
EP-1419772-A1 PREVENTIVE AGENT/REMEDIAL AGENT FOR CONSTIPATION PREDOMINANT IBS Mitsubishi Pharma Corporation (JP) 2004-05-19 EP disclosed
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2003-07-10 US disclosed
EP-1256581-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR GASTRIC OR ESOPHAGEAL REGURGITATION Mitsubishi Pharma Corporation (JP) 2002-11-13 EP 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 (9 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 798/4885CYP3A4 985/4885HTR3E 975/4885
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 HTR3A 25/4885CYP3A4 2819/4885HTR3E 173/4885
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS SLC10A2, FABP2, SI HTR3A 70/4885CYP3A4 2927/4885HTR3E 276/4885
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR HTR3A 798/4885CYP3A4 985/4885HTR3E 975/4885
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR HTR3A 798/4885CYP3A4 985/4885HTR3E 975/4885
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR HTR3A 798/4885CYP3A4 985/4885HTR3E 975/4885
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR HTR3A 798/4885CYP3A4 985/4885HTR3E 975/4885
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR HTR3A 798/4885CYP3A4 985/4885HTR3E 975/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 HTR3A 2210/4885CYP3A4 1662/4885HTR3E 3051/4885

“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.