SCHEMBL17870535

SCHEMBL17870535

CN(C)N(C)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.39
ESR2 Q92731 1/20 0.38
ADORA1 P30542 2/20 0.38
NR1H2 P55055 1/20 0.37
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CREBBP Q92793 5/20 0.35
EP300 Q09472 4/20 0.35
BRD4 O60885 2/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL17870541 0.90 RBP4 (0.39) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL22029633 0.85 RBP4 (0.37) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL4792110 0.84 ADORA1 (0.46) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL14520683 0.84 ESR2 (0.41) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL25430237 0.83 ADORA1 (0.43) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL17878107 0.82 MAPK1 (0.42) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL22615700 0.82 NAMPT (0.35) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL17868654 0.82 ESR2 (0.46) ESR2ADORA1NR1H2MAPK1USP2
SCHEMBL22029670 0.81 RBP4 (0.35) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL29386147 0.81 RBP4 (0.42) RBP4ESR2ADORA1NR1H2MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556904-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-02-11 US disclosed
US-10556904-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-02-11 US disclosed
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-10189835-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-01-29 US disclosed
US-10189835-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-01-29 US disclosed
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-05-10 US disclosed
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-05-10 US disclosed
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-05-10 US disclosed
US-9890161-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-13 US disclosed
US-9890161-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-13 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185777-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 (6 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-10189835-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-10556904-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885

“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.