SCHEMBL21158211

SCHEMBL21158211

CC(C)(C)OC(=O)NCC1(c2ccccc2)CCC(=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 8/20 0.59
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL13818196 0.87 KCNA3 (0.44) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL4428524 0.86 KCNA3 (0.58) KCNA3CNR1
SCHEMBL3595473 0.85 OPRM1 (0.47) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL3900140 0.84 KCNA3 (0.47) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL3900137 0.84 KCNA3 (0.47) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL3908651 0.84 KCNA3 (0.47) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL3593944 0.81 TACR1 (0.48) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL21111717 0.81 KCNA3 (0.64) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL4437708 0.80 KCNA3 (0.40) KCNA3ALDH1A1
SCHEMBL4520783 0.80 OPRM1 (0.42) KCNA3LMNAL3MBTL1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478662-B1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO5) LTD (GB) 2020-09-16 EP disclosed
US-20190209550-A1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-07-11 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 (1 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-20190209550-A1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION SAMHD1, AZI2, CDKN1A KCNA3 4287/4885LMNA 3543/4885L3MBTL1 3631/4885

“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.