SCHEMBL1497683

SCHEMBL1497683

Cn1cc(C(=O)NC2CCC3CCN2CC3)c(=O)c2sccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
NPSR1 Q6W5P4 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR3A P46098 1/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
CNR2 P34972 2/20 0.33
TAF1 P21675 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL1497851 0.93 CYP3A4 (0.37) ALDH1A1NPSR1SMN1; SMN2USP2MEN1
SCHEMBL1497701 0.82 ALDH1A1 (0.36) ALDH1A1NPSR1SMN1; SMN2USP2MEN1
SCHEMBL1497877 0.80 CNR1 (0.36) ALDH1A1NPSR1SMN1; SMN2USP2MEN1
SCHEMBL1497720 0.79 PDE10A (0.39) ALDH1A1NPSR1SMN1; SMN2USP2MEN1
SCHEMBL7288748 0.78 HTR3A (0.48) ALDH1A1MEN1KMT2ACYP3A4HTR3A
SCHEMBL1497787 0.77 HTR3A (0.61) ALDH1A1SMN1; SMN2KMT2AL3MBTL1CYP3A4
SCHEMBL1497721 0.77 HTR3A (0.63) CYP3A4HTR3A
SCHEMBL1497847 0.74 ALDH1A1 (0.37) ALDH1A1NPSR1SMN1; SMN2USP2MEN1
SCHEMBL1497916 0.72 CNR1 (0.36) ALDH1A1NPSR1SMN1; SMN2USP2MEN1
SCHEMBL7306105 0.72 CYP3A4 (0.41) ALDH1A1NPSR1SMN1; SMN2USP2MEN1

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 16 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-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 ALDH1A1 112/4885NPSR1 174/4885SMN1; SMN2 1953/4885
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 ALDH1A1 1982/4885NPSR1 21/4885SMN1; SMN2 1351/4885
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS SLC10A2, FABP2, SI ALDH1A1 804/4885NPSR1 10/4885SMN1; SMN2 1066/4885
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR ALDH1A1 112/4885NPSR1 174/4885SMN1; SMN2 1953/4885
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR ALDH1A1 112/4885NPSR1 174/4885SMN1; SMN2 1953/4885
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR ALDH1A1 112/4885NPSR1 174/4885SMN1; SMN2 1953/4885
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR ALDH1A1 112/4885NPSR1 174/4885SMN1; SMN2 1953/4885
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR ALDH1A1 112/4885NPSR1 174/4885SMN1; SMN2 1953/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 ALDH1A1 401/4885NPSR1 564/4885SMN1; SMN2 2081/4885

“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.