SCHEMBL17660657

SCHEMBL17660657

CCC(=O)N1CC2CC(C1)C2OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNB3 Q05901 2/20 0.47
CHRNA6 Q15825 2/20 0.47
ALDH1A1 P00352 1/20 0.33
TACR1 P25103 1/20 0.33
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 3/20 0.30
NR1H2 P55055 1/20 0.30
EPHX1 P07099 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
SCHEMBL20457966 0.87 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL15932468 0.80 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21165823 0.79 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21765914 0.75 CHRNB2 (0.72) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21765915 0.75 CHRNB2 (0.72) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL11773423 0.72 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL15247313 0.72 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20457870 0.72 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL25629284 0.70 PIK3CD (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL25545238 0.70 PIK3CD (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS CHRNB2 4074/4885CHRNA3 4384/4885CHRNA4 4694/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS CHRNB2 4074/4885CHRNA3 4384/4885CHRNA4 4694/4885

“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.