SCHEMBL18295362

SCHEMBL18295362

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cccc(CC(=O)NN)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALOX5AP P20292 3/20 0.45
FEN1 P39748 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
KDM1A O60341 1/20 0.42
KLK7 P49862 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL18295390 1.00 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL5151883 0.89 ALOX5AP (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL5151878 0.89 ALOX5AP (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL18295389 0.88 ALOX5AP (0.47) ALOX5APFEN1GPR119KDM1AKLK7
SCHEMBL18295410 0.88 ALOX5AP (0.47) ALOX5APFEN1GPR119KDM1AKLK7
SCHEMBL18616623 0.87 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL18616624 0.87 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL18294083 0.85 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18294082 0.85 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8247133 0.84 ALOX5AP (0.51) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP

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-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 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-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 CHRNB4 4785/4885CHRNA3 4842/4885CHRNB2 4771/4885

“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.