SCHEMBL16707802

SCHEMBL16707802

Clc1cncc(Cl)c1N1CC2CC1CN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
FUCA1 P04066 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
OPRM1 P35372 1/20 0.36
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
DPP4 P27487 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL5041464 0.79 CHRNB2 (0.55) HSD11B1CHRM2CHRM4CHRM5OPRM1
SCHEMBL2955795 0.73 FUCA1 (0.60) FUCA1CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL10480299 0.72 HSD11B1 (0.49) HSD11B1FUCA1CHRM2CHRM4CHRM5
SCHEMBL20488466 0.70 FUCA1 (0.60) FUCA1CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL6201186 0.69 HRH3 (0.43) HSD11B1FUCA1
SCHEMBL4318880 0.69 HSD11B1 (0.65) HSD11B1FUCA1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL20488123 0.69 FUCA1 (0.58) FUCA1CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL5750271 0.67 FUCA1 (0.56) FUCA1CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL21793953 0.67 FUCA1 (0.56) FUCA1CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL21793950 0.67 FUCA1 (0.56) FUCA1CHRM2CHRM4CHRM5SIGMAR1

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 12 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-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-07-30 US disclosed
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-02-15 US disclosed
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9758489-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-09-12 US disclosed
US-9758489-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-09-12 US disclosed
US-20150315159-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-11-05 US disclosed
US-20150315159-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-11-05 US disclosed
US-9115113-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-08-25 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
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 (4 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-20150315159-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 HSD11B1 89/4885FUCA1 3931/4885CHRM2 4416/4885
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 HSD11B1 89/4885FUCA1 3931/4885CHRM2 4416/4885
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 HSD11B1 89/4885FUCA1 3931/4885CHRM2 4416/4885
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 HSD11B1 89/4885FUCA1 3931/4885CHRM2 4416/4885

“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.