SCHEMBL16707641

SCHEMBL16707641

O=C(Nc1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.72
MAPT P10636 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 4/20 0.63
KDM4E B2RXH2 3/20 0.61
GAA P10253 2/20 0.59
P2RY12 Q9H244 2/20 0.56
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
GLA P06280 1/20 0.54
FAAH O00519 3/20 0.54
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
HCRTR1 O43613 1/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53

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 0.95 MAPT (0.74) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL3785663 0.85 MAPT (0.67) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL16707623 0.84 LMNA (0.67) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL13666098 0.84 HCAR2 (1.00) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL16707629 0.83 LMNA (0.69) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL16707675 0.83 HCAR2 (0.52) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL16707635 0.83 LMNA (0.58) MAPTNPSR1ALDH1A1LMNAKDM4E
SCHEMBL17029143 0.81 LMNA (0.80) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL16707638 0.81 LMNA (0.67) HCAR2MAPTNPSR1ALDH1A1LMNA
SCHEMBL16707633 0.81 LMNA (0.78) HCAR2MAPTNPSR1ALDH1A1LMNA

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 13 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
WO-2015073774-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. (US) 2015-05-21 WO 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 HCAR2 1758/4885MAPT 4757/4885NPSR1 3654/4885
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 HCAR2 1758/4885MAPT 4757/4885NPSR1 3654/4885
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 HCAR2 1758/4885MAPT 4757/4885NPSR1 3654/4885
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 HCAR2 1758/4885MAPT 4757/4885NPSR1 3654/4885

“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.