SCHEMBL29324707

SCHEMBL29324707

CC(C)C(=O)N1CCC2(CC1)CC(C(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.37
HRH3 Q9Y5N1 3/20 0.37
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
NAMPT P43490 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL29324711 0.87 CYP2D6 (0.36) CYP2D6HRH3KCNH2CYP1A2CYP2C9
SCHEMBL29321295 0.85 CYP2D6 (0.43) CYP2D6HRH3KCNH2CHRNB2CHRNA3
SCHEMBL29326408 0.84 DPP4 (0.40) CYP2D6HRH3KCNH2
SCHEMBL23468394 0.81 CHRNB2 (0.39) CYP2D6HRH3CHRNB2CHRNA3CHRNA4
SCHEMBL29324699 0.81 EPHX2 (0.45) CYP2D6CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL25904108 0.81 L3MBTL1 (0.34) CYP2D6CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL26501046 0.79 CHRNB2 (0.38) CYP2D6HRH3CHRNB2CHRNA3CHRNA4
SCHEMBL29317699 0.79 EPHX2 (0.39) CYP2D6HRH3KCNH2ALDH1A1MEN1
SCHEMBL21028193 0.78 CYP1A2 (0.44) CYP2D6CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL10201881 0.77 CYP2D6 (0.59) CYP2D6HRH3KCNH2CHRNB2CHRNA3

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
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 CYP2D6 4042/4885HRH3 4843/4885KCNH2 4285/4885

“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.