SCHEMBL29324656

SCHEMBL29324656

CC(C)(C)C1(O)CCN(C2COC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN1A P35498 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL18843033 0.78
SCHEMBL23995669 0.77
SCHEMBL23345003 0.74
SCHEMBL21233253 0.73
SCHEMBL23345004 0.73
SCHEMBL18849837 0.73
SCHEMBL24853986 0.72 GRIN2D (0.33) OPRM1CYP1A2CYP2D6
SCHEMBL18459005 0.72
SCHEMBL18806187 0.72
SCHEMBL19505123 0.70 HRH3 (0.33)

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 OPRM1 3975/4885OPRD1 4110/4885OPRK1 4232/4885

“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.