SCHEMBL16707754

SCHEMBL16707754

COC(=O)C1CN(C)CCN(C)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
TP53 P04637 1/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 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
SCHEMBL9965973 0.91
SCHEMBL19334293 0.89 BRD4 (0.42) BRD4TP53CHRNB2CHRNA4ALDH1A1
SCHEMBL14712106 0.87 TP53 (0.52) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL7853872 0.87 TP53 (0.52) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL14711275 0.87 TP53 (0.52) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL16718949 0.84 SMN1; SMN2 (0.50) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL10049180 0.84 SMN1; SMN2 (0.50) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL35889 0.84 SMN1; SMN2 (0.50) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL10049540 0.84 SMN1; SMN2 (0.50) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL18434254 0.82 SMN1; SMN2 (0.53) BRD4TP53ALDH1A1SMN1; SMN2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068774-B1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2019-12-25 EP disclosed
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9115113-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-08-25 US disclosed
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC., 2015-05-14 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-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 BRD4 1225/4885TP53 1049/4885CHRNB2 4061/4885
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 BRD4 1225/4885TP53 1049/4885CHRNB2 4061/4885

“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.