SCHEMBL8851568

SCHEMBL8851568

CCOC(=O)CCCNCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.63
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
PPID Q08752 1/20 0.55
TOP2A P11388 1/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
ALOX5 P09917 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAOA P21397 1/20 0.51
CCR6 P51684 1/20 0.50
PAX8 Q06710 1/20 0.50
CHRM2 P08172 1/20 0.50

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
Hydrochloric Acid SCHEMBL28570780 0.98 LTA4H (0.62) LTA4HALDH1A1SMN1; SMN2PPIDTOP2A
SCHEMBL3057335 0.94 LTA4H (0.62) LTA4HALDH1A1SMN1; SMN2PPIDHDAC3
Hydrochloric Acid SCHEMBL3060122 0.93 LTA4H (0.61) LTA4HALDH1A1SMN1; SMN2PPIDHDAC3
SCHEMBL549268 0.91 LTA4H (0.60) LTA4HALDH1A1SMN1; SMN2PPIDTOP2A
SCHEMBL10461589 0.88 ALOX5 (0.60) LTA4HALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL20179984 0.87 LTA4H (0.52) LTA4HALDH1A1SMN1; SMN2TOP2A
SCHEMBL10746397 0.86 CCR6 (0.62) LTA4HALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL16311265 0.86 LTA4H (0.52) LTA4HALDH1A1TOP2A
SCHEMBL8850869 0.86 HDAC3 (0.58) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL11953341 0.85 KDM4E (0.58) LTA4HALDH1A1SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-01-07 US disclosed
US-9181288-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9169212-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 US disclosed
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
CN-1053472-C Oligonucleotides derived from the SOD family HOFFMANN LA ROCHE (CH) 2000-06-14 CN disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
CN-1106405-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1995-08-09 CN disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 US disclosed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 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 (7 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-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH LTA4H 563/4885ALDH1A1 1656/4885SMN1; SMN2 1150/4885
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LTA4H 1151/4885ALDH1A1 2038/4885SMN1; SMN2 4568/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 LTA4H 1151/4885ALDH1A1 2038/4885SMN1; SMN2 4568/4885
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LTA4H 1151/4885ALDH1A1 2038/4885SMN1; SMN2 4568/4885
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LTA4H 1151/4885ALDH1A1 2038/4885SMN1; SMN2 4568/4885
US-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LTA4H 1151/4885ALDH1A1 2038/4885SMN1; SMN2 4568/4885
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LTA4H 1151/4885ALDH1A1 2038/4885SMN1; SMN2 4568/4885

“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.