SCHEMBL7004469

SCHEMBL7004469

CCN(C)CCN(CC)Cc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.39
ALOX5 P09917 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
HSD11B1 P28845 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL1642904 0.84 HTT (0.50) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL2806112 0.84 HTT (0.50) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL10241255 0.82 RIPK1 (0.50) RIPK1KDM4EHTTALDH1A1ALOX5
Ammonia Solution, Strong SCHEMBL23877941 0.82 HTT (0.49) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL11461531 0.81 ALOX5 (0.44) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL13662524 0.81 POLB (0.45) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL4542589 0.76 MEN1 (0.45) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL13646740 0.76 ALDH1A1 (0.45) RIPK1ALDH1A1THRATHRBTSHR
SCHEMBL28948440 0.76 KDM4E (0.51) RIPK1KDM4EHTTALDH1A1ALOX5
SCHEMBL6952454 0.75 KDM4E (0.56) RIPK1KDM4EHTTALDH1A1ALOX5

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 8 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-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

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-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 RIPK1 1626/4885KDM4E 2570/4885HTT 3522/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 RIPK1 1626/4885KDM4E 2570/4885HTT 3522/4885

“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.