SCHEMBL5459403

SCHEMBL5459403

CC(C)(C)OC(=O)N1CCC(Oc2ncccc2Cl)C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.55
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
POLB P06746 1/20 0.50
GPR119 Q8TDV5 2/20 0.49

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
SCHEMBL5267601 0.93 POLB (0.55) PIK3CDPOLBGPR119
SCHEMBL23608571 0.88 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL17672409 0.88 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL30044209 0.88 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL28850153 0.88 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL14377360 0.87 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL14334113 0.87 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL15139181 0.85 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL15261373 0.85 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL20135004 0.83 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CG

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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 PIK3CD 1147/4885PIK3CA 2000/4885PIK3CB 1022/4885

“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.