SCHEMBL17870544

SCHEMBL17870544

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.40
NAMPT P43490 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESR2 Q92731 1/20 0.35
ADORA1 P30542 1/20 0.35
NR1H2 P55055 1/20 0.35
CREBBP Q92793 3/20 0.35
BRD4 O60885 2/20 0.35
EP300 Q09472 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL29386147 0.85 RBP4 (0.42) RBP4NAMPTGAAHDAC1HDAC6
SCHEMBL5465401 0.84 KDM4E (0.47) RBP4NAMPTCDK5CDK5R1GAA
SCHEMBL22482203 0.84 CDK5 (0.44) RBP4NAMPTCDK5CDK5R1GAA
SCHEMBL22482006 0.84 RBP4 (0.41) RBP4NAMPTCDK5CDK5R1GAA
SCHEMBL17870541 0.81 RBP4 (0.39) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL22029668 0.81 NAMPT (0.36) RBP4NAMPTCDK5CDK5R1GAA
SCHEMBL4792110 0.81 ADORA1 (0.46) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL14520683 0.81 ESR2 (0.41) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL4795587 0.81 NPC1 (0.48) RBP4CDK5CDK5R1GAAL3MBTL1
SCHEMBL17870535 0.81 RBP4 (0.39) RBP4ESR2ADORA1NR1H2CREBBP

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 8 patents. 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-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-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-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-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 170/4885NAMPT 329/4885CDK5 2084/4885
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885NAMPT 329/4885CDK5 2084/4885
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885NAMPT 329/4885CDK5 2084/4885
US-10556904-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS RBP4 170/4885NAMPT 329/4885CDK5 2084/4885
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885NAMPT 329/4885CDK5 2084/4885
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885NAMPT 329/4885CDK5 2084/4885

“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.