SCHEMBL7004890

SCHEMBL7004890

CN(CCN1CCOCC1)C(=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
BUB1 O43683 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7004319 0.85 HRH3 (0.54) HRH3KMT2AALDH1A1KDM4EMEN1
SCHEMBL7003773 0.83 HRH3 (0.56) HRH3KMT2AALDH1A1KDM4EMEN1
SCHEMBL7003667 0.80 GLA (0.44) KMT2AGLAALDH1A1KDM4EMEN1
SCHEMBL259485 0.80 GLA (0.47) KMT2AGLAALDH1A1KDM4EMEN1
SCHEMBL26579714 0.80 GLA (0.52) KMT2AGLAALDH1A1KDM4EMEN1
SCHEMBL3673101 0.78 GLA (0.46) KMT2AGLAALDH1A1KDM4EMEN1
SCHEMBL19986241 0.78 GLA (0.41) KMT2AGLABUB1ALDH1A1MEN1
SCHEMBL47625 0.77 SMN1; SMN2 (0.38) HRH3KMT2AGLABUB1ALDH1A1
SCHEMBL47629 0.77 SMN1; SMN2 (0.38) HRH3KMT2AGLABUB1ALDH1A1
SCHEMBL19971663 0.76 GLA (0.39) HRH3KMT2AGLABUB1ALDH1A1

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 HRH3 69/4885KMT2A 3477/4885GLA 1452/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 HRH3 69/4885KMT2A 3477/4885GLA 1452/4885

“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.