SCHEMBL19631132

SCHEMBL19631132

CN1CCN(C(O)C2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TP53 P04637 2/20 0.40
CHRM3 P20309 4/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
ADRA1D P25100 1/20 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
SCHEMBL24654654 0.91 KDM4E (0.34) KDM4ETP53CHRM3L3MBTL3L3MBTL1
SCHEMBL25527427 0.83 L3MBTL3 (0.33) TP53ALDH1A1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL28034928 0.79 FDPS (0.39) KDM4ETP53LMNAHTTMAPT
SCHEMBL23716166 0.78 HRH3 (0.38) KDM4EALDH1A1MAPTCYP2D6KCNH2
SCHEMBL25700680 0.75 CHRNA7 (0.35) KDM4E
SCHEMBL30771313 0.75 KDM4E (0.51) KDM4ETP53CHRM3ALDH1A1LMNA
SCHEMBL19293305 0.75 KDM4E (0.48) KDM4ETP53CHRM3ALDH1A1LMNA
SCHEMBL20938908 0.74 KDM4E (0.46) KDM4ETP53CHRM3ALDH1A1LMNA
SCHEMBL17733703 0.72 SIGMAR1 (0.41) KDM4ETP53CHRM3LMNASIGMAR1
SCHEMBL20633452 0.72 FDPS (0.36) KDM4ETP53LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 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-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 KDM4E 2882/4885TP53 1486/4885CHRM3 4478/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 KDM4E 2882/4885TP53 1486/4885CHRM3 4478/4885

“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.