SCHEMBL20666231

SCHEMBL20666231

CC(C)NC(=O)CN1CCCC1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.56
PIK3CD O00329 1/20 0.53
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
MEN1 O00255 1/20 0.43
NQO2 P16083 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL20666108 0.95 LMNA (0.59) LMNAHTTTSHRPIK3CDCHRM5
SCHEMBL11513891 0.89 LMNA (0.54) LMNAHTTTSHRPIK3CDCHRM5
SCHEMBL11514634 0.86 LMNA (0.57) LMNAHTTTSHRPIK3CDKMT2A
SCHEMBL21389398 0.85 LMNA (0.50) LMNAHTTTSHRPIK3CDCHRM5
SCHEMBL11512976 0.85 LMNA (0.56) LMNAHTTTSHRPIK3CDKMT2A
SCHEMBL13664089 0.85 LMNA (0.56) LMNAHTTTSHRPIK3CDKMT2A
SCHEMBL11512972 0.85 LMNA (0.56) LMNAHTTTSHRPIK3CDKMT2A
SCHEMBL24796419 0.83 LMNA (0.57) LMNAHTTTSHRPIK3CDKMT2A
SCHEMBL21389519 0.83 LMNA (0.57) LMNAHTTTSHRPIK3CDKMT2A
SCHEMBL13451422 0.82 HTT (0.59) LMNAHTTTSHRPIK3CDCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 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 (3 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 LMNA 4458/4885HTT 3160/4885TSHR 655/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 LMNA 4458/4885HTT 3160/4885TSHR 655/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 LMNA 4458/4885HTT 3160/4885TSHR 655/4885

“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.