SCHEMBL6323638

SCHEMBL6323638

CC(C)(C)OC(=O)N1CC2CC1CN(c1ccc(-c3ccccc3)nn1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.49
HTR3A P46098 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UCHL1 P09936 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1761440 0.83 CHRNA7 (0.60) CHRNA7PARP1UCHL1HDAC1
SCHEMBL6329821 0.83 CHRNA7 (0.53) CHRNA7HTR3ACHRNB4CHRNA3KDM4E
SCHEMBL15663026 0.80 CHRNA7 (0.60) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL6330678 0.80 CHRNA7 (0.60) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL13768179 0.77 CHRNB4 (0.48) CHRNB4CHRNA3PARP1HDAC1
SCHEMBL6329995 0.77 GPR119 (0.47) CHRNA7HTR3ACHRNB4CHRNA3KDM4E
SCHEMBL929426 0.77 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3KDM4E
SCHEMBL6201547 0.72 CHRNA7 (0.74) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL13768039 0.72 CHRNB2 (0.39) CHRNA7CHRNB4CHRNA3PARP1HDAC1
SCHEMBL13768040 0.71 HDAC1 (0.38) CHRNB4CHRNA3PARP1MEN1ALDH1A1

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-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 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 (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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 CHRNA7 1/4885HTR3A 160/4885CHRNB4 25/4885

“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.