SCHEMBL13780922

SCHEMBL13780922

CC(=O)N(S)CCC(C)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.42
CHRNA4 P43681 14/20 0.42
CHRNB4 P30926 11/20 0.42
CHRNA3 P32297 9/20 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
SCHEMBL13770949 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13780924 0.78 PIK3CD (0.32)
SCHEMBL11091699 0.74 ALDH1A1 (0.32)
SCHEMBL13780927 0.73 ALDH1A1 (0.37)
SCHEMBL2736112 0.71 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2760149 0.69 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22446850 0.69 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12518263 0.67 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13780923 0.67 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20860599 0.66 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3

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-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 CHRNB2 2946/4885CHRNA4 4243/4885CHRNB4 3631/4885

“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.