SCHEMBL3106152

SCHEMBL3106152

CCN1CC(C)NCC1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
PIM1 P11309 1/20 0.32
MAPT P10636 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
SCHEMBL13770623 1.00 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM1PIM1MAPT
SCHEMBL26060560 1.00 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM1PIM1MAPT
SCHEMBL6376833 1.00 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM1PIM1MAPT
SCHEMBL15217044 0.83 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1PIM1
SCHEMBL14135342 0.83 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1PIM1
SCHEMBL24965969 0.83 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1PIM1
SCHEMBL3100760 0.83 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1PIM1
SCHEMBL3090051 0.79 SIGMAR1 (0.58) SIGMAR1CHRM2CHRM1
SCHEMBL22944448 0.78 SIGMAR1 (0.38) SIGMAR1
SCHEMBL4599654 0.78 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1

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
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
EP-0861660-B9 Curative medicine for disease caused by infection of Helicobacter KANEKA CORP (JP) 2006-06-28 EP disclosed
EP-0861660-B1 Curative medicine for disease caused by infection of Helicobacter KANEKA CORP (JP) 2005-04-27 EP disclosed
EP-0787494-B1 Use of rifamycin derivatives for the manufacture of a medicament for the treatment of diseases caused by infections of helicobacter pylori KANEKA CORP (JP) 2004-06-09 EP disclosed
US-5981522-A ADMINISTERING RIFAMYCIN DERIVATIVE TO THE PATIENT TO TREAT GASTRITIS, GASTRODUODENITIS, EROSIVE GASTRITIS, GASTRIC EROSION, EROSIVE DUODENITIS, GASTRIC ULCER AND DUODENAL ULCER CAUSED BY HELICOBACTER PLORI KANEKA CORPORATION (JP) 1999-11-09 US disclosed
EP-0861660-A1 Curative medicine for disease caused by infection of Helicobacter KANEKA CORPORATION (JP) 1998-09-02 EP disclosed
EP-0787494-A1 REMEDY FOR DISEASES CAUSED BY INFECTION WITH HELICOBACTER KANEKA CORPORATION (JP) 1997-08-06 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 (2 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-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 SIGMAR1 299/4885CHRM2 175/4885CHRM1 314/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD SIGMAR1 400/4885CHRM2 748/4885CHRM1 1283/4885

“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.