SCHEMBL16707656

SCHEMBL16707656

O=C(Nc1ccc(F)c(Cl)c1)N1CCCN(c2ccncc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
CNR2 P34972 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TRPV1 Q8NER1 2/20 0.50
CCR2 P41597 1/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
GPR142 Q7Z601 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL16707655 0.92 MAPT (0.60) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL16707808 0.90 MAPT (0.70) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL17029148 0.88 L3MBTL1 (0.65) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL16707622 0.87 MAPT (0.68) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL16707663 0.87 MAPT (0.68) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL16707657 0.87 MAPT (0.64) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL16707661 0.86 MAPT (0.63) MAPTCNR2NPSR1TRPV1MEN1
SCHEMBL16707797 0.85 LMNA (0.66) MAPTCNR2LMNAALDH1A1NPSR1
SCHEMBL17230444 0.84 MAPT (0.60) MAPTCNR2NPSR1TRPV1MEN1
SCHEMBL16707662 0.84 MAPT (0.60) MAPTCNR2LMNANPSR1TRPV1

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 MAPT 4757/4885CNR2 2306/4885LMNA 2166/4885
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MAPT 4757/4885CNR2 2306/4885LMNA 2166/4885
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 MAPT 4757/4885CNR2 2306/4885LMNA 2166/4885
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 MAPT 4757/4885CNR2 2306/4885LMNA 2166/4885

“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.