SCHEMBL1497720

SCHEMBL1497720

CCn1cc(C(=O)NC2CC3CCN2CC3)c(=O)c2sccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
CYP3A4 P08684 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL1497874 0.93 ALDH1A1 (0.40) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1497851 0.86 CYP3A4 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1497859 0.83 ALDH1A1 (0.40) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1497683 0.79 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1497887 0.79 HTR3A (0.60) CNR1CNR2CYP3A4HTR3A
SCHEMBL1497889 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1497788 0.74 HTR3A (0.62) ALDH1A1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL1497913 0.74 CNR2 (0.39) ALDH1A1MEN1KMT2ACNR1CNR2
SCHEMBL4049241 0.72 HTR3A (0.47) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1497936 0.71 HTR3A (0.58) ALDH1A1KMT2ASMN1; SMN2TP53POLB

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 PDE10A 2615/4885ALDH1A1 112/4885MEN1 3574/4885
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 PDE10A 719/4885ALDH1A1 1982/4885MEN1 4250/4885
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS SLC10A2, FABP2, SI PDE10A 488/4885ALDH1A1 804/4885MEN1 4336/4885
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR PDE10A 2615/4885ALDH1A1 112/4885MEN1 3574/4885
US-20100210679-A1 PREVENTIVE AND THERAPEUTIC MEDICAMENT FOR GASTROESOPHAGEAL REFLUX DISEASE HRH2, SLC10A2, GRPR PDE10A 2615/4885ALDH1A1 112/4885MEN1 3574/4885
US-20100204267-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR PDE10A 2615/4885ALDH1A1 112/4885MEN1 3574/4885
US-20080293762-A1 Preventive and Therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR PDE10A 2615/4885ALDH1A1 112/4885MEN1 3574/4885
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR PDE10A 2615/4885ALDH1A1 112/4885MEN1 3574/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 PDE10A 3566/4885ALDH1A1 401/4885MEN1 3563/4885

“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.