SCHEMBL7004319

SCHEMBL7004319

CN(CCN1CCCC1)C(=O)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.54
BCHE P06276 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL7003773 0.98 HRH3 (0.56) HRH3BCHESIGMAR1KDM4EMEN1
SCHEMBL7004890 0.85 HRH3 (0.46) HRH3KDM4EMEN1ALDH1A1TSHR
SCHEMBL18184759 0.80 BCHE (0.53) HRH3BCHEKDM4EMEN1ALDH1A1
SCHEMBL7004839 0.78 SIGMAR1 (0.52) HRH3SIGMAR1
SCHEMBL7006254 0.77 CHRM2 (0.53) HRH3SIGMAR1ALDH1A1
SCHEMBL47660 0.76 HRH3 (0.40) HRH3SIGMAR1
SCHEMBL791907 0.76 CHRM2 (0.51) HRH3SIGMAR1ALDH1A1
SCHEMBL3674260 0.76 SIGMAR1 (0.47) HRH3SIGMAR1ALDH1A1
SCHEMBL47615 0.76 HRH3 (0.40) HRH3SIGMAR1
SCHEMBL47683 0.75 HRH3 (0.42) HRH3SIGMAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 US disclosed
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 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 (3 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-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 HRH3 69/4885BCHE 3108/4885SIGMAR1 522/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 HRH3 69/4885BCHE 3108/4885SIGMAR1 522/4885
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 HRH3 696/4885BCHE 2741/4885SIGMAR1 380/4885

“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.