SCHEMBL17868696

SCHEMBL17868696

CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C2CC=CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
NR1H2 P55055 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14251617 0.88 HPGD (0.43) ESR2MAPTKDM4ETHRBPTPN2
SCHEMBL17868663 0.86 MAPT (0.46) ESR2MAPTKDM4ETHRBPTPN2
SCHEMBL16220613 0.82 USP2 (0.41) ESR2MAPTKDM4ETHRBNR1H2
SCHEMBL2123557 0.81 USP2 (0.41) ESR2MAPTKDM4ETHRBNR1H2
SCHEMBL5223609 0.81 USP2 (0.41) ESR2MAPTKDM4ETHRBNR1H2
SCHEMBL17868668 0.81 RECQL (0.43) ESR2MAPTKDM4ETHRBPTPN2
SCHEMBL16221362 0.80 USP2 (0.41) ESR2MAPTKDM4ETHRBNR1H2
SCHEMBL17868613 0.80 DDB1 (0.41) ESR2MAPTKDM4ETHRBNR1H2
SCHEMBL173439 0.79 PDE4B (0.41) ESR2MAPTKDM4ETHRBPTPN2
SCHEMBL17868660 0.78 DDB1 (0.39) ESR2MAPTKDM4ETHRBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544141-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-01-28 US disclosed
US-10544141-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-01-28 US disclosed
US-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-03-14 US disclosed
US-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-03-14 US disclosed
US-10093669-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-9518057-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
US-9518057-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
US-9518057-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (5 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-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS ESR2 1041/4885MAPT 4552/4885KDM4E 4387/4885
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS ESR2 1041/4885MAPT 4552/4885KDM4E 4387/4885
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS ESR2 1041/4885MAPT 4552/4885KDM4E 4387/4885
US-10544141-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS ESR2 1041/4885MAPT 4552/4885KDM4E 4387/4885
US-10093669-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS ESR2 1041/4885MAPT 4552/4885KDM4E 4387/4885

“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.