SCHEMBL21106943

SCHEMBL21106943

CCC(=O)N1CCC(N(C)CC(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
MCHR1 Q99705 1/20 0.44
EPHX2 P34913 6/20 0.42
NPY5R Q15761 2/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL26227804 0.83 PIK3CD (0.49) PIK3CDMCHR1HSD17B10KDM4EALDH1A1
SCHEMBL21106061 0.82 MCHR1 (0.47) PIK3CDMCHR1EPHX2NPY5RHSD17B10
SCHEMBL19275282 0.80 EPHX2 (0.44) EPHX2NPY5REPHX1ALDH1A1
SCHEMBL25883657 0.79 POLB (0.46) PIK3CDMCHR1HSD17B10KDM4EGAA
SCHEMBL12516865 0.79 L3MBTL3 (0.53) EPHX2NPY5REPHX1ALDH1A1
SCHEMBL21787323 0.78 PIK3CD (0.44) PIK3CDMCHR1HSD17B10KDM4E
SCHEMBL21281128 0.77 EPHX2 (0.49) EPHX2NPY5REPHX1ALDH1A1MEN1
SCHEMBL18909251 0.77 EPHX2 (0.45) EPHX2NPY5REPHX1ALDH1A1MEN1
SCHEMBL18909244 0.77 EPHX2 (0.49) EPHX2NPY5REPHX1ALDH1A1MEN1
SCHEMBL19419451 0.77 NPY5R (0.44) EPHX2NPY5RGAAEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 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 (3 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 PIK3CD 421/4885MCHR1 4631/4885EPHX2 3319/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PIK3CD 321/4885MCHR1 3799/4885EPHX2 1890/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PIK3CD 321/4885MCHR1 3799/4885EPHX2 1890/4885

“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.