SCHEMBL1497909

SCHEMBL1497909

O=C(NC12CCCN(CC1)CC2)c1c[nH]c2ccsc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
HTR3A P46098 1/20 0.53
CNR2 P34972 6/20 0.36
HPGD P15428 4/20 0.32
TSHR P16473 2/20 0.32
CNR1 P21554 1/20 0.32
CFTR P13569 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1497869 0.96 CYP3A4 (0.57) CYP3A4HTR3ACNR2CNR1CFTR
SCHEMBL13229581 0.72 CYP3A4 (0.55) CYP3A4HTR3ACFTRLMNAPOLB
SCHEMBL1497938 0.71 HTR3A (0.92) CYP3A4HTR3A
Pumosetrag SCHEMBL390615 0.70 HTR3A (1.00) CYP3A4HTR3A
Pumosetrag SCHEMBL29406201 0.69 HTR3A (0.98) CYP3A4HTR3A
Pumosetrag SCHEMBL1497905 0.69 HTR3A (0.98) CYP3A4HTR3A
SCHEMBL2793777 0.68 CYP3A4 (0.50) CYP3A4HTR3AHPGDALDH1A1HTT
SCHEMBL1497788 0.68 HTR3A (0.62) CYP3A4HTR3ATSHRLMNAPOLB
Pumosetrag SCHEMBL1299759 0.68 HTR3A (0.96) CYP3A4HTR3A
SCHEMBL13229587 0.68 CFTR (0.63) CYP3A4HTR3AHPGDCFTRLMNA

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 CYP3A4 985/4885HTR3A 798/4885CNR2 382/4885
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 CYP3A4 2819/4885HTR3A 25/4885CNR2 59/4885
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS SLC10A2, FABP2, SI CYP3A4 2927/4885HTR3A 70/4885CNR2 31/4885
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CYP3A4 985/4885HTR3A 798/4885CNR2 382/4885
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR CYP3A4 985/4885HTR3A 798/4885CNR2 382/4885
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CYP3A4 985/4885HTR3A 798/4885CNR2 382/4885
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CYP3A4 985/4885HTR3A 798/4885CNR2 382/4885
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CYP3A4 985/4885HTR3A 798/4885CNR2 382/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 CYP3A4 1662/4885HTR3A 2210/4885CNR2 553/4885

“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.