SCHEMBL22051165

SCHEMBL22051165

COC(=O)CC(=O)C1CCCC(C(=O)OC)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 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
SCHEMBL30354325 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20599690 0.93 CHRNB2 (0.40) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20599527 0.87 SMN1; SMN2 (0.45) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21987775 0.86 BTK (0.44) SMN1; SMN2GAAMGAMSIMGAM2
SCHEMBL21987526 0.85 CHRNB2 (0.47) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1017827 0.85 MGAM (0.42) SMN1; SMN2GAAMGAMSIMGAM2
SCHEMBL62434 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL86929 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20599735 0.81 TP53 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21987187 0.81 TP53 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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 4 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US 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

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 SMN1; SMN2 4696/4885CHRNB2 4680/4885CHRNA4 4781/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 SMN1; SMN2 4624/4885CHRNB2 4648/4885CHRNA4 4716/4885

“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.