SCHEMBL20600166

SCHEMBL20600166

COC(=O)CC(=O)C1CCN(C)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.32
FKBP1A P62942 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14636507 0.81 BRD4 (0.69) BRD4SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL16887543 0.80 BRD4 (0.43) BRD4SMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL22235293 0.78 BRD4 (0.42) BRD4SMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL16892194 0.75 BRD4 (0.46) BRD4HDAC1HDAC2HDAC3P2RX7
SCHEMBL2328642 0.75 MAPT (0.47) BRD4SMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL31391873 0.75 BRD4 (0.46) BRD4SMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL6220495 0.74 ALDH1A1 (0.51) BRD4SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL22234986 0.74 BRD4 (0.44) BRD4HDAC1HDAC2HDAC3P2RX7
SCHEMBL1017827 0.73 MGAM (0.42) SMN1; SMN2HSD17B10NPSR1
SCHEMBL22235274 0.73 BRD4 (0.43) BRD4HDAC1HDAC2HDAC3

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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
EP-3645516-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2020-05-06 EP disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 CN disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO 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 (2 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL BRD4 824/4885SMN1; SMN2 4696/4885HDAC1 1190/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 BRD4 1485/4885SMN1; SMN2 4624/4885HDAC1 2429/4885

“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.