SCHEMBL4790799

SCHEMBL4790799

[CH2]CC1CCN(c2ncc[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
AKT2 P31751 5/20 0.35
GSK3B P49841 2/20 0.35
HIPK2 Q9H2X6 1/20 0.35
GRIN2B Q13224 2/20 0.33
HTR2B P41595 3/20 0.33
GRIN2A Q12879 1/20 0.32
JAK3 P52333 1/20 0.32
KIT P10721 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
LCK P06239 1/20 0.31
F2RL1 P55085 1/20 0.30
HSD11B1 P28845 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
SCHEMBL14587775 0.81 ALOX15 (0.34) ALOX15AKT2GSK3BHIPK2GRIN2B
SCHEMBL6281359 0.77 AKT2 (0.49) ALOX15AKT2GSK3BHIPK2KIT
SCHEMBL300491 0.74 ALOX15 (0.41) ALOX15AKT2HIPK2JAK3F2RL1
SCHEMBL311710 0.72 BCHE (0.42) ALOX15AKT2HIPK2JAK3HRH3
Hydrochloric Acid SCHEMBL9200760 0.72 ALOX15 (0.39) ALOX15HIPK2HTR2BJAK3F2RL1
Hydrochloric Acid SCHEMBL29956711 0.72 HIPK2 (0.37) ALOX15AKT2GSK3BHIPK2JAK3
SCHEMBL6030119 0.72 KDM4E (0.51)
SCHEMBL556899 0.71 LMNA (0.39) HIPK2F2RL1
SCHEMBL6403188 0.71 HIPK2 (0.36) ALOX15AKT2HIPK2JAK3F2RL1
SCHEMBL3096843 0.71 KDM4E (0.48) ALOX15HRH3

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 5 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
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 ALOX15 778/4885AKT2 3360/4885GSK3B 4572/4885

“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.