SCHEMBL3100760

SCHEMBL3100760

CCCN1CC(C)NCC1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GAA P10253 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
DRD4 P21917 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL14135342 1.00 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAADRD2
SCHEMBL15217044 1.00 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAADRD2
SCHEMBL24965969 1.00 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAADRD2
SCHEMBL3090051 0.88 SIGMAR1 (0.58) SIGMAR1CHRM2CHRM1GAA
SCHEMBL4599655 0.86 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1GAA
SCHEMBL4599654 0.86 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1GAA
SCHEMBL3100817 0.86 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1GAA
SCHEMBL6488211 0.85 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1GAA
SCHEMBL3106101 0.85 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1GAA
SCHEMBL6376833 0.83 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM1PIM1

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 10 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
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
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 (1 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

“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.