SCHEMBL5069178

SCHEMBL5069178

O=C(O)N1Cc2ccccc2C[C@H]1CCBr

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.42
NR1D1 P20393 8/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 3/20 0.39
OPRL1 P41146 2/20 0.39
KCNH2 Q12809 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL5064885 0.86 ACE (0.43) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL17838137 0.85 OPRM1 (0.43) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL17559495 0.83 BCL2 (0.47) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL17559498 0.83 BCL2 (0.47) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL4595358 0.83 BCL2 (0.47) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL4783225 0.81 OPRM1 (0.53) ACENR1D1OPRM1OPRD1OPRK1
SCHEMBL28826000 0.81 OPRM1 (0.43) ACENR1D1POLBOPRM1OPRL1
SCHEMBL25378557 0.78 OPRM1 (0.56) ACENR1D1POLBOPRM1OPRD1
SCHEMBL28056722 0.78 OPRM1 (0.56) ACENR1D1POLBOPRM1OPRD1
SCHEMBL16417180 0.78 ACE (0.41) ACENR1D1POLBTDP1L3MBTL1

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ACE 4185/4885NR1D1 2957/4885POLB 1321/4885

“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.