SCHEMBL24995604

SCHEMBL24995604

CC(C)(C)OC(=O)CN1[C@@H]2CCC[C@H]1CC(N)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 1/20 0.33
BTK Q06187 1/20 0.33
CACNA1H O95180 3/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
CHRM4 P08173 1/20 0.33
PREP P48147 2/20 0.32
NR1H2 P55055 1/20 0.31
HPGD P15428 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL24249167 0.83 MAPK1 (0.44) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL19728174 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL28411457 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL25888649 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL8185274 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL19728173 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL17593204 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL5480653 0.76 PLA2G10 (0.40) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL22054254 0.76 CHRM2 (0.63) KMT2AL3MBTL1CHRM2CHRM1CHRM3
SCHEMBL24455951 0.76 CACNA1H (0.36) ALDH1A1CACNA1HHPGDOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB KMT2A 2361/4885L3MBTL1 4229/4885CHRM2 4778/4885

“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.