SCHEMBL16707635

SCHEMBL16707635

O=C(Nc1ccccc1)N1CCCN(c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
PKM P14618 1/20 0.58
KDM4E B2RXH2 3/20 0.57
FAAH O00519 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
HCRTR1 O43613 1/20 0.56
USP2 O75604 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.54
ME2 P23368 1/20 0.54

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
SCHEMBL16707625 0.89 MAPT (0.74) LMNANPSR1ALDH1A1MAPTPKM
SCHEMBL16707666 0.83 MAPT (0.71) LMNANPSR1ALDH1A1MAPTPKM
SCHEMBL16707641 0.83 HCAR2 (0.72) LMNANPSR1ALDH1A1MAPTKDM4E
SCHEMBL570715 0.81 CYP2C9 (0.71) NPSR1ALDH1A1MAPTKDM4EFAAH
SCHEMBL16707629 0.80 LMNA (0.69) LMNANPSR1ALDH1A1MAPTKDM4E
SCHEMBL16707627 0.79 NPSR1 (0.56) LMNANPSR1ALDH1A1MAPTKDM4E
SCHEMBL16707623 0.78 LMNA (0.67) LMNANPSR1ALDH1A1MAPTKDM4E
SCHEMBL17029143 0.78 LMNA (0.80) LMNANPSR1ALDH1A1MAPTKDM4E
SCHEMBL16707638 0.78 LMNA (0.67) LMNANPSR1ALDH1A1MAPTKDM4E
SCHEMBL4776281 0.78 CYP2C9 (0.71) NPSR1ALDH1A1MAPTKDM4EFAAH

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 LMNA 2166/4885NPSR1 3654/4885ALDH1A1 2038/4885
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 LMNA 2166/4885NPSR1 3654/4885ALDH1A1 2038/4885
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LMNA 2166/4885NPSR1 3654/4885ALDH1A1 2038/4885
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LMNA 2166/4885NPSR1 3654/4885ALDH1A1 2038/4885

“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.