SCHEMBL29326474

SCHEMBL29326474

CC(C)(C)C1CC2(CCN(CCC(=O)O)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
GLA P06280 1/20 0.42
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
APEX1 P27695 1/20 0.36
S1PR5 Q9H228 6/20 0.34
KDM1A O60341 1/20 0.33
S1PR3 Q99500 2/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL29324714 0.87 CYP2D6 (0.42) ITGB3ITGA2BCYP1A2CYP2D6ALOX15
SCHEMBL29326427 0.85 ITGB3 (0.42) ITGB3ITGA2BCYP1A2CYP2D6ALOX15
SCHEMBL29326374 0.81 ALOX15 (0.45) CYP1A2CYP2D6ALOX15KDM1A
SCHEMBL29324715 0.81 LMNA (0.39) CYP1A2CYP2D6ALOX15SMN1; SMN2
SCHEMBL29324697 0.80 CYP1A2 (0.46) CYP1A2CYP2D6ALOX15
SCHEMBL13218331 0.80 GLA (0.47) CYP1A2CYP2D6GLASMN1; SMN2MAPK1
SCHEMBL29326323 0.79 CYP2D6 (0.39) CYP1A2CYP2D6ALOX15OPRD1
SCHEMBL29324706 0.79 CYP2D6 (0.37) ITGB3ITGA2BCYP1A2CYP2D6ALOX15
SCHEMBL29327479 0.78 ALOX15 (0.45) CYP1A2CYP2D6ALOX15
SCHEMBL29326353 0.78 CYP1A2 (0.45) CYP1A2CYP2D6ALOX15OPRM1OPRD1

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 ITGB3 3806/4885ITGA2B 2931/4885CYP1A2 3232/4885

“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.