SCHEMBL1497698

SCHEMBL1497698

CCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2sc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
HTR3A P46098 5/20 0.47
CYP3A4 P08684 1/20 0.47
CHRNA7 P36544 3/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR5A P47898 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1497896 0.87 HTR3A (0.49) HTR3ACYP3A4CHRNA7HTR3EHTR3B
SCHEMBL1497887 0.83 HTR3A (0.60) CNR1CNR2HTR3ACYP3A4CHRNA7
SCHEMBL1497859 0.79 ALDH1A1 (0.40) CNR1CNR2MEN1KMT2A
SCHEMBL1497721 0.71 HTR3A (0.63) HTR3ACYP3A4CHRNA7HTR3EHTR3B
SCHEMBL1497924 0.71 CYP3A4 (0.53) HTR3ACYP3A4CHRNA7CYP2D6CYP2C9
SCHEMBL9027743 0.68 CHRM2 (0.71) CNR1CNR2CYP2D6CYP2C9
SCHEMBL7061832 0.67 CHRNA7 (0.66) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7125672 0.66 CHRNA7 (0.62) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7447481 0.66 HTR3A (0.56) HTR3A
SCHEMBL7447489 0.66 HTR3A (0.56) HTR3A

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 CNR1 402/4885CNR2 382/4885HTR3A 798/4885
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 CNR1 122/4885CNR2 59/4885HTR3A 25/4885
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS SLC10A2, FABP2, SI CNR1 42/4885CNR2 31/4885HTR3A 70/4885
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CNR1 402/4885CNR2 382/4885HTR3A 798/4885
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR CNR1 402/4885CNR2 382/4885HTR3A 798/4885
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CNR1 402/4885CNR2 382/4885HTR3A 798/4885
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CNR1 402/4885CNR2 382/4885HTR3A 798/4885
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR CNR1 402/4885CNR2 382/4885HTR3A 798/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 CNR1 607/4885CNR2 553/4885HTR3A 2210/4885

“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.