SCHEMBL14930717

SCHEMBL14930717

CN(C)CC(=O)N1CCCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.33
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
SCN9A Q15858 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
SCHEMBL4730369 0.83
SCHEMBL10202107 0.81 DPP4 (0.31) KDM4EDPP4
SCHEMBL4742954 0.80 DPP4 (0.33) DPP4
SCHEMBL13713515 0.79 ALDH1A1 (0.39) CNR2GRIN2BKDM5AKDM4CTSHR
SCHEMBL22964983 0.77 DPP4 (0.35) CNR2GRIN2BKDM5AKDM4CTSHR
SCHEMBL11847774 0.77 ALDH1A1 (0.37) CNR2GRIN2BKDM5AKDM4CTSHR
SCHEMBL11892711 0.76 L3MBTL1 (0.36) CNR2GRIN2BKDM5AKDM4CTSHR
SCHEMBL19432459 0.74 DPP4 (0.39) CNR2GRIN2BTSHRNFKB1CYP2C19
SCHEMBL14930636 0.74 ALDH1A1 (0.42) CNR2TSHRCYP2C19
SCHEMBL11890349 0.74 CYP2C19 (0.33) CNR2GRIN2BKDM5AKDM4CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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 (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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF CNR2 3719/4885GRIN2B 4825/4885KDM4E 2087/4885

“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.