SCHEMBL29324706

SCHEMBL29324706

CC(=O)CN1CCC2(CC1)CC(C(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 1/20 0.37
CACNA1H O95180 2/20 0.33
HSD11B1 P28845 1/20 0.33
USP2 O75604 1/20 0.31
CYP2C19 P33261 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
BDKRB2 P30411 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
SCHEMBL29326427 0.87 ITGB3 (0.42) CYP2D6CYP1A2ALOX15CACNA1HHSD11B1
SCHEMBL29324714 0.85 CYP2D6 (0.42) CYP2D6CYP1A2ALOX15HSD11B1USP2
SCHEMBL29324709 0.80 KDM4E (0.44) CYP2D6CYP1A2ALOX15HSD11B1CYP2C19
SCHEMBL29326474 0.79 ITGB3 (0.43) CYP2D6CYP1A2ALOX15ITGB3ITGA2B
SCHEMBL29324699 0.77 EPHX2 (0.45) CYP2D6CYP1A2USP2CYP2C19ALDH1A1
SCHEMBL29326323 0.77 CYP2D6 (0.39) CYP2D6CYP1A2ALOX15CACNA1H
SCHEMBL12374976 0.77 HSD11B1 (0.44) CYP2D6HSD11B1TSHR
SCHEMBL15112753 0.77 CYP1A2 (0.41) CYP2D6CYP1A2ALOX15HSD11B1TSHR
SCHEMBL29326374 0.76 ALOX15 (0.45) CYP2D6CYP1A2ALOX15HSD11B1ALDH1A1
SCHEMBL29324697 0.74 CYP1A2 (0.46) CYP2D6CYP1A2ALOX15

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-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 4042/4885CYP1A2 3232/4885ALOX15 2938/4885

“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.