SCHEMBL4717620

SCHEMBL4717620

CC(C)N1CCN(C2CC[N]CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.39
TSHR P16473 4/20 0.36
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCK P08631 1/20 0.31
VCP P55072 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 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
SCHEMBL10092700 0.84 HRH3 (0.41) HRH3TSHRCYP2D6KCNH2VCP
SCHEMBL14453902 0.82 HRH3 (0.41) HRH3TSHRCYP2D6KCNH2VCP
SCHEMBL12396793 0.80 HRH3 (0.46) HRH3TSHRCHRM2CHRM1
SCHEMBL23384260 0.80 HRH3 (0.40) HRH3TSHRCYP2D6KCNH2VCP
SCHEMBL10092689 0.80 HRH3 (0.50) HRH3TSHRMEN1KMT2ACHRM2
SCHEMBL12858869 0.78 HRH3 (0.53) HRH3TSHRMEN1KMT2ACHRM2
SCHEMBL8186259 0.78 HRH3 (0.53) HRH3TSHRMEN1KMT2ACHRM2
SCHEMBL22456342 0.78 HRH3 (0.41) HRH3TSHRVCP
SCHEMBL22175014 0.77 KDM4E (0.43) HRH3TSHRCYP2D6KCNH2MEN1
SCHEMBL21934645 0.77 KDM4E (0.43) HRH3TSHRCYP2D6KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HRH3 24/4885TSHR 1458/4885CYP2D6 2331/4885

“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.